Cac Phuong Phap Nhieu Xa

HANOI UNIVERSITY OF TECHNOLOGY
INTERNATIONAL TRAINING INSTITUTE FOR MATERIALS SCIENCE
CC PHNG PHP VT L
PHN TCH CU TRC VT RN
TRONG KHOA HC VT LIU
Dr. NGUYEN ANH TUAN
HANOI-2007
NI DUNG BI GING
CHNG 1: CU TRC CHT RN & MNG TINH TH
1.1. Cu trc nguyn t.
1.2. Cht rn v cc lin kt trong cht rn.
1.3. Cu trc tinh th ca cht rn - Mng tinh th v i xng tinh th.
1.4. Cu trc vt rn v nh hnh.
CHNG 2: CC PHNG PHP NHIU X
2.1. C s ca nhiu x - L thuyt tng qut.
2.2. Nhiu x tia X (XRD).
2.3. Nhiu x in t (ED).
2.4. Nhiu x ntron (ND).
CHNG 3: CC PHNG PHP HIN VI
3.1. C s ca HV - Hin vi quang hc (OM).
3.2. Hin vi in t truyn qua (TEM).
3.3. Hin vi in t qut (SEM).
3.4. Cc loi hin vi khc (hin vi laze ng tiu, hin vi tia X, hin vi
ntron,....).
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TI LIU THAM KHO CHNH

1.
2.
3.
4.
5.
6.
7.
8.
9.
10.
Materials science and technology, Ed. by R.W. Cahn, P. Haasen and E.J.
Kramer, Vol. 1&2 A & B, VCH Weinheim, 1993.
Elemen of X-ray diffraction, B.D. Culity and S.R. Stock; Prentice Hall, 2001.
Diffraction for Materials Scientists by J.M. Schultz, Prentice-Hall, Inc.,
Englewood Cliffs, New Jersey 1982.
Electron Microscopy in Material Science ed. by U. Valdr; Academic Press
Inc., New York and London 1971.
Fundamental of surface and thin film analysis , L.C. Feldman and J.W.
Mayer, North Holland, Amsterdam, 1986.
Electron Microscopy of thin crystals , P.B. Hirsch, London, 1965.
Scanning tunneling microscopy and related methods, NATO ASI series E,
Vol. 184, 1990.
Electron Scattering and Related Spectroscopies, by M. De Crescenzi and
M.N. Piancastelli; World Scientific Publishing Co. Pte. Ltd. 1996.
Analytical Techniques for Thin films Ed. by K.N. Tu and R. Rosenberg
(Treatise on Materials Science and Technology, Vol. 27); Academic Press, Inc.;
Hardcourt Brace Jovanovich, Publishers, 1988.
Practical surface analysis 2nd ed. by David I. Briggs, John Wiley & Sons
1996.
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2.1. C s ca nhiu x - L thuyt tng qut

2.2. Nhiu x tia X (XRD)
2.3. Nhiu x in t (ED)
2.4. Nhiu x ntron (ND)
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M U: Gii thiu v hin tng nhiu x nh sng
Bn cht ca nh sng
- Bn cht ht ca nh sng do Newton a ra t cui TK XVII khng gii thch
c cc hin tng nhiu x, giao thoa, phn cc v tn sc ca nh sng.
- n TK XIX, Huygens (1629-1695) a ra thuyt sng ca nh sng (Kho lun
v nh sng; 1678/1690), coi nh sng l sng n hi lan truyn trong mi
trng te, tng t nh sng m lan truyn trong mi trng khng kh.
- 1865, Maxwell chng t nh sng l sng in t: cc trng in v t bin
thin lan truyn trong khng gian vi vn tc ca nh sng.
Bn cht sng in t ca nh sng gii thch c cc hin tng nhiu x,
giao thoa, phn cc v tn sc ca nh sng. (Tuy nhin, mt s hin tng khc
nh quang in, tn x Compton,li phi da trn bn cht ht ca nh sng).
- Thuyt lng t tng hp c tnh cht sng v ht: nh sng l dng cc ht
(photon) lan truyn theo cc nguyn l ca sng in t.
nh sng c lng tnh sng v ht. Tuy nhin cc hin tng nhiu x v giao
thoa ch da trn bn cht sng in t ca nh sng.
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- Nguyn l Huygens: Mi im m sng truyn ti tr thnh
tm ca cc sng th cp. V tr ca mt u sng thc lan
truyn c xc nh bi mt bao ca cc sng th cp .
Ngun sng
th cp
Mt sng
mi
Mt sng l mt ng pha Mt sng
Tia sng
ban u
Sng th
cp
Mt sng thi gian t + t
Mt sng thi gian t

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Nguyn l Huygens
Mt bc 0
Mt bc 1
Mt bc 2
Cc tm pht sng th cp
Cc nh sng pha trc
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S nhiu x v khc x ca sng
S khc x sng hiu theo nguyn l

Huygens.
S nhiu x sng hiu theo nguyn l

Huygens.
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Sng phng (plane wave)
- Sng phng l sng c tn s khng i, cc mt sng l mt phng song song vi
nhau vi bin khng i vung gc vi phng truyn sng (phng ca vect
vn tc pha v); v tho mn phng trnh sng mt chiu trong h to Decade:
2
2
2
=v
2
t
x 2
(1)
- Nghim ca phng trnh sng phng c dng tng qut:
( x, t ) = 0 e
r r
i ( k . x t )
(2)
Hay di dng iu ho (ei = cos + i sin):
rr
( x, t ) = 0 cos(t k . x + )
(3)
trong A l bin sng, l tn s gc, k l vector sng (k l s sng = /v,

trong trng hp nh sang, v = c), x l vector tia ca hng lan truyn sng, cn l
pha ca sng.
- thu c cc sng phng, vector v tr, hay vector vn tc pha phi lun duy tr
vung gc vi mt mt phng cho trc. Nu ly mt im x0 trn mt sng, th
i vi sng phng lun tha mn h thc:
(x x0).k = 0,
v:
x.k = x0.k = const.

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Sng cu (Spherical wave)
- Sng cu l sng pht ra t mt tm im v lan truyn ng hng trong KG, tho
mn phng trnh truyn sng:
Trong
2
1
2 = 2 2
v t
2
2
2
2 = 2 + 2 + 2 v r = x 2 + y 2 + z 2
z
y
x
(4)
- Nhng trong h to cu, v ng hng (khng ph thuc gc, hay c tnh i

xng gc), nn khng ph thuc cc ta gc v , do p/t (4) c th c
vit di dng:
2
2
1
2
=
+
r 2 r r v 2 t 2
Nghim ca phng trnh sng cu,
r
e
(r , t ) = 0
Hay di dng iu ho:
(r , t ) =
0
r
r r
i ( k .r t )
(5)
(6)
rr
cos(t k .r + )
(7)
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- Hnh nh v sng phng v sng cu:
Sng phng
Sng cu
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Sng dc v sng ngang
-
Sng dc c hnh thnh khi phn t dao ng dch chuyn song song vi
phng lan truyn sng. Cc phn t dao ng khng chuyn ng cng vi
sng, m ch dao ng tin-li xung quanh v tr cn bng ca n khi sng i qua.
Vi sng ngang, cc phn t dao ng dch chuyn theo phng vung gc vi

phng lan truyn sng. y cc phn t dao ng cng khng chuyn ng
cng vi sng, m ch dao ng ln xung xung quanh v tr cn bng ca n khi
sng i qua.
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Bn cht sng in t ca nh sng
- Sng in t l sng sinh ra bi tng tc gia in trng v t trng bin thin
theo thi gian
Minh ho v s lan truyn sng in t (phim)

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S tn x v giao thoa ca sng
Hnh nh giao thoa ca 2 ngun sng pht ra t 2 im gn nhau
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Hin tng giao thoa v nhiu x sng in t qua nhiu khe hp
Giao thoa qua 2 khe
Sng
phng
ti
Nhiu x qua 1 khe

Sng
phng ti
Nhiu x qua 3 khe
Sng
phng ti
iu ny s c iu
bin bi ng bao ca
nhiu x 1 khe
Nhiu x qua 4 khe
iu ny s c iu
bin bi ng bao ca
nhiu x 1 khe
Sng
phng ti
iu ny s c iu
bin bi ng bao ca
nhiu x 1 khe
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Nhiu x qua 5 khe
iu ny s c iu
bin bi ng bao ca
nhiu x 1 khe
Sng
phng ti
So snh cng cc cc i nhiu x theo s khe
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Hin tng giao thoa v nhiu x sng in t qua cc khe hp
Cng cc vt
nhiu x qua khe.
Th nhim nhiu x
qua mt khe.
Ghi ch: sinc(x) = sin(x)/(x)
Cc gin nhiu
x t mt khe.
Cc gin nhiu
x t nhiu khe.
Hnh nh cc vt
nhiu x t cc
khe c rng
khc nhau.
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Hnh nh cc qung nhiu x qua 1 khe
Khng gian thc
Khng gian pha
Real: cos(2t) , Imaginary: -sin(2t)
A delta function at
- Nu sng in t c dng iu ho biu

din theo thi gian (.v l s), khi thc
hin php bin i Fourier i vi sng
ny, ta c th nhn c mt dng biu
din hm ny trong thang tn s (.v l
s-1), c dng ch l mt sc n.
Hnh nh nhiu x l kt qu ca
php bin i Fourier /v s bin i
tun hon theo thi gian ca sng qua
mt cu trc khng gian thc thnh dng
sng bin i tun hon trong khng gian
tn s (KG o), v n m t mt cu trc
no trong KG o m phn nh cu
trc tng ng ca khng gian thc.
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S tn x ca sng trn cc vt liu
- Mt ht nh tn x sng theo tt c cc hng u nhau.
- Trong khi mt vt liu tinh th tn x sng in t chiu ti ch theo mt s hng
v hn na s giao thoa lm tng cng ln nhau to ra s nhiu x.
Nhiu x = tn x + giao thoa

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2.1.1. S DNG HIN TNG NHIU X TRONG PHN TCH CU TRC
VT CHT
- Chm tia ti (sng bc x in t hoc sng DeBroglie): bc sng ,
cng I0
- Mu vt cht l mt "HP EN".
- Cc gi thit:
* Tn x n hi: mt s tia ti ch b lch hng (gc 2);
* khng i,
cng I(s) l hm ca gc lch 2,

trong s l mt vector: s = 2(sin)/.
I0
Black box
Specimen
2
I(2)
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-
Kt qu ca tn x n hi:
* Cc chm tia tn x c th giao thoa vi nhau, nu cng pha, c
th xut hin cc cc i v cc cc tiu giao thoa.
* Ti cc v tr c cc i giao thoa, cc tia tn x c cng
mnh ln do tng hp cc sng c cng pha, cng tn s gi l
cc cc i nhiu x.
Nhiu x = Tn x + Giao thoa.
Kt qu ca s nhiu x:
* Ty thuc vo iu kin thc nghim: s nhiu x c th hin
qua nhiu hin tng khc nhau.
* Cc dng thng c ghi nhn :
+ Vt (spot) nhiu x
+ Vch (line) nhiu x
+ ng vin (contour) nhiu x
C th ti to li c
cu trc ca mi trng
tn x (mu/"hp en").
+ ng nhiu x ngc
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Mt s hnh nh nhiu x thng ghi nhn c ca tia X v tia e
nh cc vt nhiu x ca tia e trn

n tinh th.
nh cc vnh nhiu x ca tia e

trn a tinh th.
nh cc vnh nhiu x ca tia X trn a tinh th.

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Xt trng hp khi mi trng tn x c cu to bi cc im ri rc: mi im

l mt tm gy ra s tn x i vi chm tia ti l sng phng tm tn x.
Mi tm tn x nh mt ngun pht sng cu th cp. Cc sng cu ny giao

thoa vi nhau to nn cc cc i nhiu x nhng v tr nht nh trong khng
gian.
Mi tia tn x i nhng qung ng c di khc nhau trc khi n mt

phng chung PP iu kin giao thoa b ph v.
Mc b ph hy ph thuc vo mc trt t ca cc
tm tn x v gc nhiu x 2.
Mu
"HP EN"
C 2 kh nng:
- Cc tm tn x sp xp
trt t trong "hp en".
- Cc tm tn x sp xp
khng trt t.
Sng phng
Tm tn x
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- Khi cc tm tn x sp xp hon ton trt t
S c nhng tia tn x di nhng gc 2hkl no giao thoa hon

ton vi nhau xut hin cc cc i nhiu x (hay cc i giao thoa).
l nhng gc tha mn iu kin Bragg: n = 2dhkl sinhkl
(2.1)
+ n l s bc phn x
+ dhkl l khong cch gia cc tm tn x c cng tnh cht
no (k hiu qua cc ch s hkl)
+ hkl l gc tn x t cc tm tn x nm khong cch
tng ng dhkl .
- Khi cc tm tn x sp xp t trt t, hoc hon ton hn n
Tnh khng trt t cng ln, mc b ph hy ca iu kin giao thoa
cng cao s giao thoa xy ra khng hon ton hoc b mt hn.
khng xut hin cc cc i nhiu x.

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2.1.2. L THUYT NHIU X TNG QUT
- Sng ti: , vect lan truyn n v: o
- Sng tn x: , gc tn x 2, vect lan truyn tn x n v:
- Chn gc O l mt tm tn x bt k.
Cc tm tn x khc c xc nh bng cc vect ri (i = 0, 1, 2, 3,...)
- Bin sng tn x ti mt im trong KG:
trong l bin
A = AI sin(t -2x/)
Ngun
sng ti
, o
,
(2.2)
Detector
Tm tn x
r1
r4
r2
r3
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2.1.3. CC HIU CHNH THC T
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2.1.4. CC TNH CHT TON HC C S DNG TRONG L THUYT
NHIU X
1- Cc chui Fourier
f ( x) = an sin
2nx
/2
/2
f ( x) sin
2mx
dx = an
n
(1)
/2
/2
sin
2mx
sin
2nx
e iax e iax e ibx e ibx
sin ax sin bx =
2i
2i
e i( a +b ) x + e i(a +b ) x e i( a b ) x + e i(a b ) x
=
4
4
1
1
= cos( a + b ) x + cos( a b ) x
2
2
dx
(2)
(3)
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Cc tnh cht ton hc s dng trong l thuyt nhiu x
1- Cc chui Fourier
/2
f ( x) sin
/2
/2
/2
1
2 (m + n) x
2 (m n) x
dx = an cos
dx cos
dx
2 n / 2
/ 2
2mx
1
2 (m + n) x
a
sin
n
2 n 2 (m + n)
/2
/ 2
sin
2 nx
dx =
/2
2 (m n)
1
x sin 2 x
2 2 n
/2
/2
/ 2
f ( x) sin
2nx
dx =
an
x =n
x = n
sin
2 (m n) x
/2
/ 2
(4)
(5)
(6)
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2- Php bin i Fourier
g ( x ) = bn cos
2nx
bn =
/2
g ( x ) cos
(7)
2nx
/2
h ( x ) = cn e
dx
2nx
cn =
/2
h( x)e
/ 2
(8)
2nx
dx
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3- Tch phn Fourier
h( x) = c(q )e i 2qx dx
(9)
+M
+M
2i ( q q ') x
2iq ' x
h
(
x
)
e
dx
=
c
(
q
)
e
dxdq
M
+M
2 i ( q q ') x
+M
+M
cos[ 2 ( q q ' ) x ]dx + i sin[ 2 ( q q ' ) x ]dx
dx =
M
M
cos 2Qxdx =
(10)
(11)
sin 2MQ
1
sin 2Q MM =
Q
2Q
2MQ
sin
Q
= 1 2 M cos 2MQ 1 sin 2MQ = 0

Q
Q
Q 2
2MQ = tan 2MQ
Q=0
( rad )
(12)
(13)
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Tnh cht ca hm
1. Trng hp hm f(x) lin tc
2. Cc tch phn: Nu
3. S dch v (theo phng trnh (1)):
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4. Ly tch s:
5. Tch phn ca hm :
Hm ny c gi l hm bc Heaviside function. C dng th n gin nh sau:
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2.1.5. CC THA S TN X NGUYN T
- Cc tha s tn x l thnh phn bin hay cng tn x ring, n phn nh
nhng ng gp hay nh hng ca cc yu t, nguyn nhn no gy nn s
tn x ang c xt. Sau ny s cp n nhiu loi tha s khc nhau nh
hng n cng nhiu x.
- V trong hp en cc nguyn nhn chnh gy nn tn x ang xt l cc nguyn
t, nn cc tha s tn x nguyn t l nhng i lng ng gp quan trng
nht vo bin tn x trong cc bi ton v nhiu x cc chm tia vt cht ni
chung trn cc cht rn (l tp hp cc tm tn x gm cc nguyn t).
- Cc sng c s dng trong thc nghim nhiu x thng l sng ca tia X, tia
in t hay ntron, v vy cc tha s tn x nguyn t c xt y l cho
cc loi sng ny.
- Nh trc y thy, t biu thc (38) c th k hiu t s bin tn x tng
r
qut nh sau:
r r
r
r ik . r
A(k )
= (r )e dvrr f (k )
AI (k )
- Ln lt ta c cc loi tha s tn x nguyn t: tha s tn x nguyn t /v

tia X (k hiu l fX(k)), tha s tn x nguyn t /v in t (k hiu l f e(k)),
tha s tn x nguyn t /v ntron (k hiu l f n(k)).
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2.1.6. S BO TON NNG LNG
C th chng minh rng cng tn x khi c ly tch phn qua ton b cc gi
tr k l khng i i vi mt khi lng cho trc, khng ph thuc vo trng thi kt
t ca n.
- Hy nh li cng tch phn tng i c biu din qua hm t tng
quan P(u), i vi mt h bt k, ta c:
r
r ikr .ur
I (k )
= P(u)e dvur
I I (k )
- y vi cu trc ca h c hm cha trong hm t tng quan P(u). Ly

tch phn cng
r tng i trn qua ton b khng gian k, ta c:
r r
r ikr .ur
r
I (k ) r
ik . u
r
r
r
I I (k ) dvk = P(u)e dvu dvk = e dvk P(u)dvur
- Hy nh li nhng lp lun trc y i n biu thc (31), chng t

tch phn ca hm exp c tnh cht ca hm Dirac . Do y ta c:
r r
ik . u
r r
0 ( r r ' )
r
r
dv k = ( u ) =
r r
(
r
= r ')
r r r
(Note : u = r ' - r )
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- V vy:
r
r
r
I (k ) r
2
r = P ( 0) = V
dv
=
(
u
)
P
(
u
)
dv
u
e
I I (k ) k
y V l th tch ca vt liu b bc x, e l mt trung bnh ca in t.

- Biu thc trn y cho thy v phi l mt hng s. Do gi tr ca tch phn
phi khng ph thuc vo cu trc. Ni khc i, biu thc trn y th hin
tnh cht bo ton nng lng ca h.
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2.1. C s ca nhiu x
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GII THIU
2.2.1. S LC LCH S TIA X
1895: tia X c W.C. Rntgen
Ln u tin pht hin ra.
Wilhelm Conrad Rntgen

(1845 - 1923)
The first Nobel Prize for Physics, in 1901
Bc nh tia X u tin c ghi nhn

bi Roentgen. l bn tay ca Alfred
von Kolliker, chp vo ngy 23/1/1896.
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Lich s ca nhiu x tia X bi tinh th
Max vol Laue
William Henry Bragg
William Lawrence Bragg
Germany
United Kingdom
United Kingdom
1879 1960
1862 - 1942
1890 (in Australia) 1971
The Nobel Prize in Physics 1914

"for his discovery of the diffraction
of X-rays by crystals"

"for their services in the analysis
of crystal structure by means of
X-rays"

"for their services in the analysis
of crystal structure by means of
X-rays"
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2.2.2. BN CHT CA TIA X
- Sng in t
* Bc sng:
~ 0.01 - 10 nm
(0.1 100 )
Tia X cng: ~ 10-1 - 10-3 nm
(1 - 0.01 )
Tia X mm: ~ 10 - 1 nm
(100 - 10 )
* Tn s: f ~ 1016 - 1020 Hz
* Nng lng:
E = h = hc/
EX-ray = 102 - 106 eV
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- Nhng tnh cht c bn:
+ Khng nhn thy (vng nh sng nhn thy c bc sng l 400 700 nm;
cn vng bc sng ca tia X l 0.1 0.001 nm)
+ Truyn thng trong khng gian t do.
+ Phn x b che chn bi mi trng.
+ Hp th b suy gim cng bi mi trng.
+ Tuyn qua c tnh thu quang vi nhiu mi trng khng trong sut.
V c bc sng ngn, nng lng cao kh nng xuyn thu cao.
+ Khc x bi chit sut ca mi trng vt cht.
+ Phn ng quang ha tc dng ln phim nh.
ng dng:
- Chp nh X quang
- Thm d khng ph hy
- 1912: Laue: quan st thy hin tng nhiu x tia X trn tinh th
Nhn xt: X-ray ~ kch thc ng.t v mng tinh th. EX-ray ~ nng lng lin kt
gia e- v ht nhn nguyn t. Tia X thch hp cho vic phn tch cu
trc tinh th ca vt rn.
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Biu din sng in t ca tia X:
Sng phng: E & B lun vung gc vi nhau v vung gc vi phng truyn sng.
Sng phng khng phn cc:
Sng phng phn cc phng:
E quay quanh trc lan truyn trong

mt phng vung gc vi phng lan
truyn v cha B.
E lun nm trong mt mt phng (B cng

tng t, nhng mt phng cha B lun
vung gc vi mt phng cha E).
Phng trnh sng in t:
;
Nghim ca phng trnh sng in t phng:
r.k = const.
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PH BC X TIA X LIN TC (BC X TRNG, BC X A SC, BC X HM)
- Tia X c pht x khi ht tch in bt k c gia tc b hm t ngt.

- Cc in t thng c s dng.
- Cc bia dng hm cc in t c gia tc l mt s kim loi chn lc.
- in t c in tch e c gia tc di in p V c ng nng bng:
KE = eV = mv2
e = 1.6 x 10-19 C
m = 9.11 x 10-31 kg
- Mt khc:
eV = hc/
(6.624 x 10-27 erg-sec) x (2.998 x 1010 cm/sec)

12400
= hc/(eV) = -------------------------------------------------------------- = ---------------
(1.6 x 10-20 emu) x (V volts)
V
Nh vy bin i lin tc theo in p gia tc in t V.

NATuan-ITIMS-2007

S thay i cng ph tia X lin tc theo bc sng cc in p khc nhau ca Mo
1) Cng I bin i lin tc theo .

2) C Imax ph thuc vo V & dch v
pha sng ngn khi V tng.
3) C gii hn v di sng ngn,
SWL, v gii hn ny dch v pha
sng ngn khi V tng.
4) I ph thuc Z (nguyn t s ca
bia) v i (dng qua ng pht):
I = AiZV 2
(A l hng s t l)
Bia thng c lm t cc kim
loi nng.
Gii hn sng
ngn, SWL
NATuan-ITIMS-2007

PH TIA X C TRNG (BC X VCH, BC X N SC)
- Khi V > V* (mt gi tr ti hn no
ca in p, ph thuc vo bn cht
K1 ~ 0.709
K2 ~ 0.71
K1 ~ 0.632
ca vt liu bia) xut hin cc nh

cng cc i trn nn ph lin tc
cc line xc nh v c trng cho
loi vt liu bia cc vch c
trng hay ph bc x c trng.

- line K, L, M, N,... K, L, M,...
Nh vy bc x c trng xut
hin khi cc e- bn ph bia c nng
lng cao thm su vo cc
lp v bn trong nguyn t v gy
cc kch thch v chuyn di lng
t cc lp K, L, M, ...
NATuan-ITIMS-2007

Lu :
- Vic tng V lm tng cng ph c trng nhng khng lm thay i bc sng
ca bc x c trng (v tr cc i ca ph lin tc thay i).
- Bc sng khng phn gii l trung bnh c trng s ca cc thnh phn ca n:
K = (2 x K1 + K2 ).
VD:
MoK = (2 x 0.709 + 0.714) = 0.711
- Cng ca bt k vch c trng no cng ph thuc vo dng i qua ng pht

v lng in p chnh lch so vi in p ti hn kch thc vch tng ng, V =
V - V*. V d i vi vch K:
IK = Bi(V - V*K)n
n ni chung ph thuc vo V v nm trong khong 1-2. i vi phn ln cc vt liu

bia, trung bnh n = 1.6.
- nh lut Moseley: bc sng ca bt k vch c th no cng gim theo nguyn t
s Z:
= C(Z - )
( l h s chn)
Eq = eVq (Z)2 (Vq l th cc tiu).
- Cc vch c trng rt hp, thng < 0.001 o v tr mt na cc i, c cng

ln, thch hp cho cc php thc nghim nhiu x tia X.
NATuan-ITIMS-2007
Moseley's Law for several x-ray

lines and absorption edges
(from Heinrich, 1981).
NATuan-ITIMS-2007

Characteristic Wavelengths
NATuan-ITIMS-2007
NATuan-ITIMS-2007

PH TIA X C TRNG (BC X VCH)
Mt s kim
loi ph bin
dng lm ant
ng pht tia X
NATuan-ITIMS-2007

HUNH QUANG TIA X
- Cc ph c trng K, L, M cng c th
c pht ra bng chnh s kch thch ca
cc photon tia X.
Nng sut hunh quang tia X, w, i vi cc

h vch K, L v M nh l hm ca nguyn t
s Z (Goldstein et al., 1984).
Gin minh ho s hp th bn trong mt
photon tia X v to ra mt in t Augr.
- Mt s vt liu c hunh quang

mnh bi tia X tng ng vi cc
bc sng khc nhau (s dng cc
vt liu bia khc nhau).
NATuan-ITIMS-2007

C CH PHT X TIA X C TRNG
K : L K
L : M L
K : M K
K : N K
L : N L
L : P L
Ch : in p ti thiu c bc x
c trng dy K, th kch thch, l:
Vmin = 12400 / hp th-K (volts)
K
K
Bc sng ph vch dy K (nm) ca mt s vt liu bia ph

bin (David R. Lide: CRC Handbook of Chemistry and Physics.
Target
Vmin(kV)
7.10
Fe
0.17566
0.17442
0.193604
0.193998
Ni
0.15001
0.14886
0.165791
0.166175
Cu
0.139222
0.138109
0.154056
0.154439
Zr
0.070173
0.068993
0.078593
0.079015
Mo
0.063229 0.062099 0.070930 0.071359
8.98
L
M
N
K, L, M, N, n = 1, 2, 3, ...
E(K1) = EK - EL(III)
20.0
NATuan-ITIMS-2007

S HP TH TIA X
-
Hp th di (hp th thng): Phng trnh Beer:

It = Ioexp(-t)
: h s hp th thng, ph thuc bn cht v trng

thi ca vt cht (rn, lng, kh) m tia X i qua v ca tia X s dng.
-
Hp th khi:
It = Ioexp(-/)t ( l mt khi (khi lng ring)

ca cht; / l h s hp th khi, khng ph thuc
trng thi ca mi trng).
-
H s suy gim thc nghim: = + , trong
l h s hp th thc (hay cn gi l hp
th photon), l hp th tn x.
-
Ngng hp th:
/ = k3Z3
mt s gi tr , h s / thay i t ngt
ng dng: lc bc x (lc n sc) cho tia X,
NATuan-ITIMS-2007
S hp th ca mt s bc x tia X theo tiu

chun ca Kakanui Hornblende. Cc ngng
hp th c ch th ra i vi cc nguyn t
tng ng, v cao ca ngng l mt
php o gn ng ca mt nguyn t.
NATuan-ITIMS-2007

H s hp th khi (Mass Absorbtion coefficients) i vi tia X ca cc nguyn t ha hc
NATuan-ITIMS-2007
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Minh ha hiu ng hp th tia X bi cc vt liu khc nhau khi chiu dy ca vt
liu thay i
NATuan-ITIMS-2007

VN LC TIA X
S dng ngng hp th ca mt s kim loi.

K
Ni c s dng ph bin.
Khng lc
Sau khi lc bng l Ni

NATuan-ITIMS-2007

2.2.3. CC NGUN PHT TIA X
- Ngun t nhin: trong khng gian v tr c nhiu vng vt cht pht ra tia X
Tri t l mt ngun pht tia

X. Vng bc x mnh nht.
Bc x tia X t mt h sao i, trong

c mt sao ntron hay l en.
Mt tri cng l mt ngun

pht x tia X khng l.
Thm ch sao chi cng

l mt ngun pht tia X.
Bc x tn d tia X ca mt sao siu mi

(phn mu xanh tm than).
NATuan-ITIMS-2007

- Ngun nhn to:
1. ng pht tia X
Ch ~ < 1 % ng nng ca echuyn thnh bc x tia X
Hiu sut pht x tia X rt thp.
Tia X pht x
ng chn khng ~ < 10- 6 Torr
Li ra nc
lm mt
Dng in t nng lng

cao p ln b mt bia (T)
Li vo nc
lm mt ant
UF
A
I ~ 1.0 - 1000 mA
A
UHV ~ 30 - 150 kV
Nguyn l cu to v lm vic ca mt ng pht tia X
NATuan-ITIMS-2007

Mt s kiu ng pht
Kiu ng pht thng

dng trong k thut
nhiu x tia X
Ca s Be
Ca s Be
NATuan-ITIMS-2007

Kiu ng pht ant quay
Thng dng trong cng nghip
ng pht ant quay v thy tinh
ng pht ant quay v kim loi
Ant quay c gn bia
Catt pht ra
chm tia eChm tia X pht ra
Ca s Be cho
tia X pht ra
Machlett FDX 1-2 Rotating Anode Tube

NATuan-ITIMS-2007

- Ngun nhn to:
2. Synchrotron (Synchrotron storage ring)
(Vng tch t ng b)
+ Ht in tch q chuyn ng vi v ~ c
(q thng l e- hoc e+)
+ Tc dng H q chuyn ng cong bc x tia X theo phng tip tuyn

+ Cng bc x: I ~ 4 , vi = Ep/mc2, trong Ep l nng lng ca ht q.
Ep ~ 2 8 GeV
1. Electron gun
2. Linac (linear accelerator )
3. Booster ring
4. Storage ring
5. Beamline
6. End station
NATuan-ITIMS-2007

Vn quang hc tia X
- Tia X cng c nhng c im/tnh cht nh quang hc thng thng c th s dng cc
tnh cht nh truyn thng, phn x, khc x, hi t, phn k, v s dng cc cng c/linh
kin/vt liu thch hp c c cc tnh cht nh quang hc thng thng.
- VD: dn truyn tia X (phn x, khc x,) s dng cc h trn c s cc mt i cong (zone
plate), cc cu trc quang hc a lp (multilayer optics) v dy cch t vi cu trc (microstructured optical arrays),
- Cc phn t linh kin dng trong quang hc tia X c kch thc rt nh, c thit k thch hp
vi tia X c nhng gc ti ring, c nng lng c th. V vy gy nhiu hn ch v thc hnh.
NATuan-ITIMS-2007

2.2.4. GHI NHN V PHT HIN TIA X (detector)
Nguyn l: ch yu da trn 3 nguyn l chnh:

Hiu ng quang - hunh quang
Hiu ng quang ha
Gemstar X-Ray Cameras
Hiu ng quang in
Phng tin/dng c:
Mn hunh quang
Phim nh/knh nh nh tng
Detector in t
High Resolution Digital X-ray CCD Camera XDI
+ ng m Geiger
+ ng m t l
+ ng m nhp nhy
+ Detector bn dn
Digital X-ray CCD Camera (Charge-coupled device )

NATuan-ITIMS-2007

Camera CCD dng ghi-o/pht hin tia X
- Trc y, ngay c cho n gn y, vic ghi-o/pht hin tia X ph bin
vn l s dng phim nh, vi u im chnh l c th cho php tri trn

mt din rng, c phn gii khng gian tt, v gi thnh kh thp.
- Tuy nhin, ngy nay ngi ta a vo s dng cc mn hnh in t loi
CCD (Charge- Coupled Device) lm detector tia X vi nhiu u im ni
tri: rt tin li cho vc ghi nhn/pht hin tia X nh tia X c th c
hin th rt nhanh v c th c lu gi di dng s ho.
- C hai phng php chnh ghi nhn cc photon tia X s dng detector
CCD: ghi trc tip v gin tip.
- c trng c bn ca mi phng php trnh by slide sau.
NATuan-ITIMS-2007

1) Ghi trc tip
S minh ho detector CCD theo k thut

ghi trc tip photon tia X.
- S quang in t pht x trong CCD
ph thuc vo nng lng photon tia
X ti v c hp th (eV):
- u im: khong ng lc (Dynamic

Range) cao: s m pht ra khi mt
photon c nng lng E (eV) c ghi
nhn:
Bng: S m trn photon ghi c (counts per detected photon) v khong ng lc hc
(dynamic range) ng vi cc nng lng tia X n detector khc nhau (s dng mt detector c
h linh kin CCD 16-bit v c hiu sut (g) l 7 photon (quang in t) trn mt php m)
NATuan-ITIMS-2007

S minh ho detector CCD theo k
thut ghi gin tip photon tia X.
2) Ghi gin tip
- C 3 thnh phn chnh trong mt camera CCD

- S photon nh sng nhn
ghi gin tip lng t tia X:
thy, N, trn photon tia X
+ c mn hunh quang (phosphor) chuyn i
p vo vi nng lng:
tia X thnh nh sng,
+ d b si thu tinh quang hc tp u (fiber-optic
taper) thu nh nh nh sng chiu vo chip
CCD c kch thc nh,
+ e chip CCD ghi nhn nh nh sng nh l
nh in tch (do chuyn i bng hiu ng
d
quang in).
B
c
- C 3 kiu ghi gin tip: A, B, C.
Khng c
B si
quang
d
c
V d: Nu photon tia X p vo mn hunh

quang vi nng lng l 1 keV, s photon
nh sng nhn thy sinh ra s l N 658.
NATuan-ITIMS-2007

2.2.5. HNH HC NHIU X
1) nh lut Bragg
2) Phng trnh Laue
3) Mng nghch v nhiu x
4) Cc hng nhiu x
5) Cc phng php nhiu x
6) Cc ng dng ca XRD
NATuan-ITIMS-2007

1) nh lut Bragg
= 2 dhkl sinhkl
Lu :
- Tia ti, php tuyn mt phng
nhiu x v tia nhiu x l ng
phng.
- Gc gia tia nhiu x v tia
truyn qua lun l 2-Theta (2).
Minh ha nh lut Bragg bng m

phng my tnh.
NATuan-ITIMS-2007
NATuan-ITIMS-2007

2) Phng trnh Laue
L thuyt Laue: (c th s dng chung cho cc bi ton ca nhiu loi nhiu

x khc na)
- Cc gi thit c s:
* Mng khng gian gm cc im (nt) tn x ng nht (coi cc nt
mng l ging nhau) sp xp tun hon.
* Bc x ti l mt chui sng phng mi nt mng tr thnh mt
tm tn x v pht ra sng cu.
* Chm tia X qua tinh th vi vn tc c
(b qua tng tc gia sng ti v sng
tn x).
* S tn x ch xy ra mt ln (sng tn
x i qua tinh th khng b tn x li).
* C bc x ti v b tn x u khng b
hp th trong tinh th.
NATuan-ITIMS-2007

-Sng cu
- Cc tm pht ra sng cu v biu din cc bc

mt sng khc nhau.
NATuan-ITIMS-2007

* Ghi ch v cc gi thit n gin ha nu trn:
. Khi tnh n tng tc gia sng phng ti v sng cu b tn x tng tc
ny s gy nn s iu bin vn tc pha ca sng phng ti khi i qua tinh th.
Khi h s khc x ca tinh th i vi tia-X l 1.
. Khi sng cu tn x khi i qua tinh th b ti tn x nhiu ln bi cc nt mng
khc gy nn nhng hiu ng c th tr nn rt quan trng. V d, /v cu trc
tinh th kiu rn men nh, vic b qua hiu ng ti ti x s gy nn nhng sai s,
v trong trng hp hiu ng ny s c xt n.
. Khi c s hp th bc x ti cng nh bc x b tn x trong mu tinh th
c kho st cc tnh ton cho trng hp cc tinh th nh ca cu trc rn
men b hn ch.
* Xt mt mng tinh th hnh hp c n v c xc nh bi cc vector tnh

tin a, b v c. Bt k cc vector no song song vi a,
b v c cng u cha tng ng N1, N2, v N3 nt, sao
cho N = N1N2N3 l tng s nt mng cha trong c
c
quy nh bi cc vector ny.
b
a
NATuan-ITIMS-2007

Bi ton ca l thuyt Laue tr thnh bi ton tm ra hiu ng t hp ca
cc sng cu mt im nm ngoi tinh th v khong cch ln
so vi kch thc thng ca tinh th.
- Gi s mng tinh th c N
nt mng, trn mi trc tinh
th c tng ng N1, N2, N3
nt mng (N = N1N2N3 ).
- Chm tia ti o , .
- Xt cc nt mng A1, A2, r.
- Tia tn x , .
o
M
A2
A1
Hiu qung ng:
Mt phn x
A1N - A2M = r (s so)

so
= r S.
S = s so l vect nhiu x, vung gc vi mt phng tn x.
S = s - so
S = s so
= 2 sin
A
NATuan-ITIMS-2007

iu kin c nhiu x: khi r = R l mt vect mng Bravais (A1, A2,...
l cc nt mng), R = R ( o) = n
(n = s nguyn, l vect v).
- Mt khc: so = o/; s = / r (s so) = n

iu kin Von Laue: R S = R (s so) = n
- Di dng vect sng-k:

iu kin Von Laue:
(n = s nguyn, R l
vect mng Bravais)
eiRS = 1
k = 2s
R K = 2n
K = 2S
th hin tnh trc giao
Theo iu kin ny, mt cu trc giao thoa s xut hin. iu kin

giao thoa ny c quy nh bi s thay i ca vect sng mt lng K
= k - ko, di dng mt mng tun hon (phn nh tnh tun hon ca
mng tinh th Bravais) l mt vect thuc khng gian ca vect sng khng gian nghch o v mt ton hc vi khng gian ca mng tinh th.
NATuan-ITIMS-2007
Tm tt iu kin Von Laue

(hay phng trnh Laue): O
- Mt vect sng ti ko s tho
mn iu kin Laue - ngha l
thc hin s nhiu x vi cng
nhiu x khc khng - nu v
ch nu im mt ca vect ny
ko = K
K
( = - o)
K
ko
nm trong mt mt phng m
vung gc v ct ti mt na
ca mt ng thng ni gc
ca khng gian-k vi mt nt
mng nghch K.
- Nhng mt phng nh vy
c gi l cc mt phng
Bragg.
- Nu s dng n cosin ch phng

ca cc vect ko v k, phng trnh
Laue c dng:
a(cos - coso) = h
b(cos - coso) = k
c(cos - coso) = l
vi h, k, l, l nhng s nguyn.
NATuan-ITIMS-2007

S tng ng ca cc cng thc Bragg v Von Laue
K = k - ko
K = 2n/d
K = 2 k sin
ko
k sin = n/d
ko
V: k = 2/
n = 2dsin
Mt vt nhiu x Laue tng ng vi mt s thay i ca vect sng m c cho

bi vect mng nghch K tng ng vi mt phn x Bragg t h ca cc mt
phng mng thun vung gc vi K. Bc ca phn x Bragg, n, chnh l chiu di ca
K m c chia bi chiu di ca vect mng nghch ngn nht song song vi K.
NATuan-ITIMS-2007

Cc tnh ton nhiu x theo l thuyt hnh hc ca Laue Cc dng nn nhiu x.
NATuan-ITIMS-2007
Nhiu x t mt dy nguyn t sp xp theo mng phng.

NATuan-ITIMS-2007
Nhiu x t mt dy nguyn t sp xp
theo hng khi gc ti bng 90o.
Trng hp chung cho s giao nhau ca cc nn

nhiu x ng trc vi 3 dy nguyn t sp xp
theo hng khng ng phng.
NATuan-ITIMS-2007

3) Khng gian nghch - Mng nghch - Bn cht ca cc thc nghim nhiu x tia X
Khng gian nghch

- Mt trong nhng khi nim quan trng hiu c cc hin tng
nhiu x l "khng gian nghch" (reciprocal space).
- Cc tm tn x trong "hp en" tng c cp trc y l
trong khng gian thun, v bi ton tn x lm xut hin vect tn x
S = ( - o)/, vi S = S2sin/.
kt qu tn x c biu din trong khng gian -s.
- Trong cc biu thc v bin v cng tn x u biu din qua
vect tn x s.
- Trong thc t cc tch phn lin quan n qu trnh tn x/nhiu x cng
thng c ly trong khng gian ca s.
- Khng gian s l mt khng gian nghch ( m t tng qut s lan
truyn ca sng ngi ta thng s dng khng gian k = 2s).
NATuan-ITIMS-2007
Kho st thc nghim nhiu x:

- Chm tia ti n sc: , so
- Chn gc ca c KG thc v KG
nghch O v h trc x, y, z tm
ca mu (hnh v).
I ( s ) = I I P(u)e
-
so
Cng nhiu x lin quan n

vect tn x s:
2i u. s
dv u
Mi gi tr s tng ng vi mt bin
s= 2sin/, mt gc tn x 2 v gc
phng v .
mi php thc nghim nhiu x, c
th thay i mt cch c lp 3 yu t:
o, 2, . C th gn cho mi im
trong KG nghch (s-space) mt cng
d on trc khi cho trc mt b
cc iu kin thc nghim.
so,
x
Minh ha cho thy cch m mng nghch

tr thnh vng nh x i vi cc thc
nghim nhiu x (cc gin nhiu x).
V nguyn tc c th to ra mt
gin v cng trong
khng gian s da trn 3 ta
cu s, 2, .
Gin ny s biu din

cc kt qa thc hin s nhiu
x trn mu.
NATuan-ITIMS-2007

-
Cc kt qu nhiu x t mt n tinh th - cc gin nhiu x - c

biu din trong khng gian nghch (resp) gi l mng nghch (rel).
Mt tinh th hon ho c lp y bng nhng c s vi gc O tng

ng r = 0 (hnh v):
Mt in t trong mi c
s l c(r). V tr khng gian
ca cc gc rpqr ca cc c
s l rpqr = pa + qb + rc.
Qu tch ca tt cc cc im
mng l:
z(r) =
(r - r
p= q= r =
pqr
O
O
- Mt in t phn b trong ton b tinh th hu hn, hon ho l:

(r) = c(r) * z(r)
- Gi (r) l hm c tnh cht: (r) = 1 khi r nm trong tinh th;

0 khi r nm ngoi tinh th.
NATuan-ITIMS-2007

- Vi tnh cht nh mt hm delta ca (r) v tnh trn v n iu ca hm
c(r), ta c th vit:
(r) = c(r) * [z(r) (r)]
- a vo biu thc bin nhiu x trc y:
A( s )
ta c:
= F [ (r )] F [ z (r ) (r )]
Ae ( s )
A( k )
=
Ae ( k )
i 2 s .r
(
r
)
e
dv r
Nhn thy rng:

* (r) ch n thun gii hn cc gi tr c th ca r.
* Trong biu thc bin trn y, cc s hng c tch ring ra
(tng ng vi hai thnh phn ca tch chp) tng ng bao hm:
+ Nhng th c cha bn trong c s Tha s cu trc F(s)
+ S phn b ca cc c s: Tha s mng Z(s)
A( s )
C th biu din bin nhiu x gm hai s hng:
= F ( s) Z ( s)
Ae ( s )
NATuan-ITIMS-2007
ngha ca cc tha s:
+ Tha s mng Z(r): chc nng l xc nh v tr-s c cng nhiu
x khc zero.
Nu trn 3 trc ta ca tinh th c s nguyn t tng ng l N1, N2, N3
(N = N1N2N3 l tng s nguyn t c trong tinh th).
r
Z (s ) =
N1 / 2 N 2 / 2 N 3 / 2
r i 2sr .rr
z (r )e dvr =
(r - r
N 1 / 2 N 2 / 2 N 3 / 2
tinh th
N1 / 2
r r
i 2p ( s .a )
p = N1 / 2
N2 / 2
r r
i 2q ( s .b )
q= N 2 / 2
N3 / 2
pqr
)e
r r
i 2s . r
dvrr
r r
i 2r ( s .c )
r = N3 / 2
r r
r r
r r
= N. ( s a h) ( s b k ) ( s c l )
h
Lu :
- V N1, N2, N3 rt ln nn 3 s hng exp trn tip cn n
hnh vi ca hm delta.
- h, k, l, l cc s nguyn.
NATuan-ITIMS-2007

-
Cng thc cui cng trn y xc nh mt tp hp cc iu kin cn

thit c cng nhiu x khc khng:
r r
0 khi s a h
r r
h ( s a h ) = 1 khi sr ar = h
Ta c iu tng t vi cc cp b, k v c, l.
iu kin Laue:
s.a = h
s.b = k
s.c = l
h, k, l, l cc s nguyn
- Nu ta chn 3 vect a*, b*, c* c n v l ( di)-1, sao cho tha mn /k:

a* a = 1
b* a = 0
c* a = 0
a* b = 0
b* b = 1
c* b = 0
a* c = 0
b* c = 0
c* c = 1
Nh vy cc vect a*, b*, c* c th c dng m t mng khng gian

tun hon trong KG nghch (resp).
Nu cc vect mng nghch ny c di "n v" Mng nghch c s.
NATuan-ITIMS-2007

- Mt khc, t cc iu kin ca a*, b*, c* trn, ta cng c th c:
(ha* + kb* + lc*) a = h
(ha* + kb* + lc*) b = k
(ha* + kb* + lc*) c = l
R rng rng:
s = (ha* + kb* + lc*)
Nh vy cc gi tr
ca s m ng vi
cng nhiu x
c xc nh, s ri
vo mt mng vi cc
nt trong khng gian
nghch (resp).
MNG NGHCH (rel)
c*
b*
a*
NATuan-ITIMS-2007
Mng nghch trong khng gian nghch
1) c s v cc vect n v trong mng tinh th: a, b, c

mng thun l tp hp cc vect thc r = pa + qb + rc (vi p, q, r l cc
s khng nht thit phi nguyn).
R = ua + vb + wc (vi u, v, w l cc s nguyn) Nt mng Bravais.
2) Cc vect n v trong mng nghch tng ng:
a*, b*, c* r* = a* + b* + c*.
3) Th tch ca n v trong mng nghch:
Vc* = a*(b* c*) = b*(c* a*) = c*(a* b*)
4) Quan h gia cc vect mng nghch vi mng thun:
a* = (b c)/Vc,
b* = (c a)/Vc,
c* = (a b)/Vc
a = (b* c*)/Vc,
b = (c* a*)/Vc,
c = (a* b*)/Vc
Trong Vc l th tch c s: Vc = a(b c) = b(c a) = c(a b)

Nh vy a* vung gc vi c b v c a* vung gc vi mt phng bc
(mt yz). Tng t nh vy vi cc vect b* v c*.
NATuan-ITIMS-2007

5) ln ca cc vect mng nghch:
a* = 1/(acos),
b*
= 1/(bcos),
c*
= 1/(ccos).
bc
a*
(Hnh bn m t cho trng hp u.
a
c
Cc trng hp cn li tng t)
6) Bt k vect mng nghch no r* = ha* + kb* + lc* cng du vung gc vi
mt phng hkl trong khng gian thc.
7) r*hkl = 1/dhkl trong dhkl l khong cch ca cc mt hkl.
8) Gc hkl gia mt phng hkl vi mt phng h'k'l' bng:
cos hkl
r* r*
rhkl rh 'k 'l '
= * *
rhkl rh 'k 'l '
NATuan-ITIMS-2007

Bng cosin gc gia cc mt phng hkl v h'k'l'.
h2k2l2
h1k1l1
NATuan-ITIMS-2007

9)- Khong cch dhkl gia cc mt hkl ln cn bng:
d 2hkl
*2
= rhkl
T biu thc ny c th xc nh cho 7 h tinh th nh sau:

Tng quan gia mng
(h + k + l )
1
Cubic
=
2
2
d hkl
thun v mng o
a2
Tetragonal
1
h2 + k 2
l2
=
+
2
d hkl
a2
a2
Orthorhomb ic
1
h2 k 2 l 2
=
+
+
2
d hkl
a2 b2 c2
Hexagonal
1
4 h 2 + kl + k 2
l2
=
+
2
3
d hkl
a2
c2
Rhombohedr al
1
= ( h 2 + k 2 + l 2 ) a * 2 + 2 ( hk + kl + lh ) a * 2 cos *
2
d hkl
Monoclinic
Triclinic
1
= h 2 a * 2 + h 2 b * 2 + l 2 c * 2 + 2lha * c * cos *
2
d hkl
Ch thch
*, *, * tng ng l gc gia
b* v c*; c* v a*; a* v b*
1
= h 2 a * 2 + k 2 b * 2 + l 2 c * 2 + 2 hka * b * cos * + 2 klb * c * cos * + 2lhc * a * cos *
2
d hkl
NATuan-ITIMS-2007

+ Tha s cu trc F(s): Trong biu thc ca bin tn x cp trn c 2 tha
s: tha s mng v tha s cu trc. Trn y xt n ngha ca tha

mng Z(s), l thnh phn quyt nh n hnh hc ca nhiu x. Thnh phn th
hai l tha s cu trc F(s) lin quan n cng ca nhiu x.
- Tha s cu trc F(s) c chc nng l xc nh bin hay cng nhiu
x c lin quan n cc v tr c th c m tha s mng ch ra.
- V mng thc v mng nghch l nghch o ln nhau v mt ton hc, nn c
th chng minh c rng:
r r
r r*
F (r rpqr) = (s rhkl )
r r*
r r
1
F (s rhkl ) = (r rpqr)
(Chng minh iu ny tng t nh lm i vi tha s mng Z(s) trn).

(Phn ny s c kho st k mc 2.2.7. CNG NHIU X di y).
NATuan-ITIMS-2007
Cu Ewald
- iu kin nhiu x tia X xy ra cng c th c biu din di dng

biu trong khng gian nghch khi s dng php dng hnh cu Ewald.
l hnh cu trong khng gian nghch (khng gian-k) c bn knh bng ko/.
- Xy dng cu Ewald:
+ Trong khng gian mng nghch gm cc
nt mng nghch, chn nt gc O.
+ T nt gc O, v vect ko hng song
ko
song vi phng tia ti.
k
+ Ti u mt vect ko ly lm tm cu
Ewald, v hnh cu c bn knh k = 2/
K
sao i qua gc O.
- Ch c mt s vect k tho mn iu kin
Laue nu, v ch nu, mt s nt mng nghch (gm c nt gc) nm trn
b mt ca cu Ewald m t s c mt phn x Bragg t h cc mt
phng mng thun vung gc vi vect mng nghch .
NATuan-ITIMS-2007
BI TP:
T hnh cu Ewald c th i n iu kin Bragg:
Nu cc nt im trn mt cu Ewald l cc nt nhiu x, chng phi tho mn

phng trnh Bragg.
Chng minh:
Chn cc im X v Y trn mt cu Ewald,
Sin = XY/2r
t r = 1/
Nu Y l nt mng nghch 000
v X l mt im chung hkl no
XY = 1/dhkl
Hay: = 2dhkl sin
NATuan-ITIMS-2007
Cc bc xy dng cu Ewald:
Bc 1:
To mng nghch t mt mng
thun tng ng
Bc 2:
Gn cc ch s hkl tng ng vi
cc trc mng nghch cho.
NATuan-ITIMS-2007

Bc 3:
- Xc nh hng chm tia ti vi
bc sng c nh.
- Chn im gc mng nghch 000
tia ti chiu vo.
Bc 4:
- Xc nh mt im O no trn
ng ca tia ti cch gc mng
nghich 000 mt khong bng 1/.
- V hnh cu tm O c bn knh
1/. Tt nhin hnh cu ny s i
qua gc mng nghch 000.
(Trong trng hp 2D, cu Ewald l
mt ng trn)
NATuan-ITIMS-2007

Bc 5:
- Nh thy bc 4, khng c nt
mng nghch no nm trn mt cu
Ewald khng c nhiu x.
- Thng trong nhiu x n tinh th,
tinh th c quay i vi chm tia X.
iu ny tng ng vi vic quay
mng nghch xung quanh gc 000 (v
d y l quay quanh trc c).
- Mt s nt mng nghch s ct cu
Ewald, v d nt 220.
Bc 6:
- C th tnh ton cc thng s i vi
nt 220 nh v d a ra y: 220,
d220.
NATuan-ITIMS-2007

Bc 7:
- Nt mng nghch 220 ct cu
Ewald tho mn iu kin Laue
tha mn iu kin Bragg to nn
vt nhiu x 220.
- Vic quay tip tc mng nghch s
dn n mt s nt khc ln lt ct
mt cu Ewald Cc nt u
tha mn iu kin Laue to nn
cc vt nhiu x.
NATuan-ITIMS-2007
Mt s nhn xt t cch v cu Ewald cho cc phng php nhiu x:

1- Nu tia X n sc & tinh th ng yn Cha chc c nhiu x
c nhiu x, cn c mt trong hai cch:

+ Bc sng tia X phi thay i
Nt mng nghch
+ Mng tinh th phi c quay*)
ct cu Ewald
*) Chuyn ng quay y khng c ngha l mu b chuyn dch.
2- Tt nht l chuyn ng quay theo c 3 chiu: phng php Cardan: 3 vng trn
ng tm c 3 trc quay vung gc nhau trong khng gian 3D. Mu t tm chung
ca 3 vng trn, v detector c quay theo mt vng trn khc. Phng php
nhiu x bn vng trn (Four Circle Diffractometor).
3- Trong thc t c th ch quay theo 1 hoc 2 trc quay. Trong trng hp ch quay
tinh th theo 1 trc Phng php tinh th quay, hay phng php tinh th dao
ng. C th thc hin quay theo 1 trc v trt theo 1 trc khc.
4- Trong trng hp n tinh th ng yn, nu s dng bc x tia X a sc, thay
i, bn knh cu Ewald thay i nn vn c th ct nt mng nghch c nhiu x
Phng php Laue, nhng khng th bit cc i nhiu x thuc v no.
Phng php ny ch hn ch cung cp mt s thng tin v cu trc mng. Ch

yu ch xc nh i xng tinh th.
5- Khi mu l a tinh th, ngay c khi s dng bc x n sc v tinh th c nh, vn
c nhiu x v mt nt mng nghch tng ng vi nhiu im trn mt cu Ewald
Phng php a tinh th, hay phng php bt (cn gi l pp Debye-Scherrier).
NATuan-ITIMS-2007

4) Cc hng nhiu x
- Lm th no xc nh c cc gc 2-Theta c th c trong thc nghim nhiu x?
21, 22, 23, = ?, ngha l xc nh c cc hng nhiu x.
T hp vi nh lut Bragg = 2dsin vi phng trnh khong cch gia cc
mt, ta c th xc nh c cc hng nhiu x (thng qua sin). Cc hng
ny ph thuc vo cc h tinh th.
+ Phng trnh khong cch gia cc mt ca 7 h mng tinh th:
(h + k + l )
1
=
Cubic
2
2
d hkl
a2
S t hp ca nh lut Bragg v ph/trnh khong cch gia

cc mt phng, khi mt sng ti c xc nh () v mt
mng tinh th vi c s c bit trc (a), cho php ta
c th tin on v tt c cc hng kh d (ng vi cc
Tetragonal
1
h2 + k 2
l2
=
+
2
d hkl
a2
a2
Orthorhomb ic
1
h2 k 2 l 2
= 2+ 2 + 2
2
d hkl a
b
c
Hexagonal
1
4 h 2 + kl + k 2
l2
=
+
2
3
d hkl
a2
c2
Rhombohedr al
gc Bragg ) ca cc tia nhiu x t cc mt (hkl).

c*
1
= ( h 2 + k 2 + l 2 ) a *2 +2( hk + kl + lh ) a *2 cos *
2
d hkl
Monoclinic
1
= h 2 a *2 + h 2 b *2 + l 2 c *2 +2lha * c * cos *
2
d hkl
Triclinic
1
= h 2 a *2 + k 2b *2 + l 2 c *2 +2 hka * b * cos * +2 klb * c * cos * +2lhc * a * cos *
2
d hkl
a*
*
*
b*
Ch thch
*, *, * tng ng l gc
gia b* v c*; c* v a*; a* v b*
NATuan-ITIMS-2007

+ V d cc hng tinh th tng ng trong h tinh th cubic:
- iu kin Bragg l:
= 2dsin
1
h2 + k 2 + l 2
=
- Phng trnh khong cch gia cc mt trong h cubic:
2
d hkl
a2
- T hp cc phng trnh trn ta tm c p/t v hng

nhiu x:
sin 2 =
2
4a
(h
+ k2 + l2
- V d nhng gc nhiu x Bragg c th c ng vi cc tia nhiu x t mt phng

(110) (khi v kch thc mng a c xc nh r) tho mn phng trnh:
sin2110 = 2/2a2
- Tng t ta c cc cng thc xc nh sin2 i vi cc h tinh th khc.
Nh vy, cc hng nhiu x c th c s gn lin vi h tinh th (gm 14 mng
Bravais) v cc tham s mng ca n (a, b, c, v , , ).
Ni khc i: Cc hng nhiu x c xc nh ch bi hnh dng v kch
thc ca c s.
Ngc li: C th xc nh v mt tinh th cha c bit (hnh dng v kch
thc ca c s) khi o cc hng (gc Bragg ) ca chm tia nhiu x.
NATuan-ITIMS-2007

5) Cc phng php nhiu x
(Kho st k trong chng 6: Cc bi thc hnh phn tch cu trc)
Phng php
X Phng php Laue
Bin i
C nh
Y Phng php quay n tinh th
C nh
Z Phng php bt
C nh
Bin i mt phn
Bin i
NATuan-ITIMS-2007
CHNG 1: CU TRC CA VT RN
X Phng php Laue
Experiment of Laue 1912

X-ray diffraction by a single crystal
Phng php Laue thc hin nhiu x trong trng hp n tinh th ng yn, nhng
s dng bc x tia X a sc ( thay i), do bn knh cu Ewald thay i nn vn c
th ct nt mng nghch c nhiu x. Tuy nhin phng php ny khng th cho
bit cc i nhiu x thuc v no. V vy phng php ny ch hn ch cung cp
mt s thng tin v cu trc mng. Ch yu ch xc nh i xng tinh th.
NATuan-ITIMS-2007

Phng php Laue truyn qua
Cc vt nhiu x ca mt h mt
phng (hkl) thng phn b trn
cc ng parabollic kn hoc m.
NATuan-ITIMS-2007

Phng php Laue phn x ngc
Cc vt nhiu x ca mt h mt phng (hkl) thng phn b trn mt

cung ca ng hyperbolic.
NATuan-ITIMS-2007
V d ng dng k thut Laue kim tra cu trc tinh th

ca cc wafers Si trong cng nghip bn dn
- Xc nh hng tinh th ca thi Si.
Sau khi ct ra khi thi, cc wafer Si c xc nh hng kim tra cht lng
NATuan-ITIMS-2007

Gin nhiu x Laue phn x ngc
Tnh gc :
tan(180o 2) = r, trong r l khong cch t tm nh, l vt ca
chm tia trn film, v R l khong cch t film ti tinh th.
NATuan-ITIMS-2007
Hnh chiu ni v Li Wulff
NATuan-ITIMS-2007
NATuan-ITIMS-2007

Li Greninger
- Li Greninger cho php xc nh cc to

gc ca php tuyn b mt ca mt
phng nhiu x ng vi mt vt nhiu x
no .
- Cc to Greninger c th c chuyn
thnh cc to trn hnh chiu ni.
- Cc bc c thc hin nh sau:
NATuan-ITIMS-2007

Chuyn i cc s liu Laue phn x ngc t li Greninger
thnh cc s liu trn hnh chiu ni
NATuan-ITIMS-2007

Chuyn i cc s liu Laue phn x ngc t li Greninger
thnh cc s liu trn hnh chiu ni
NATuan-ITIMS-2007

Sau khi chuyn i, cc s liu Laue phn x ngc ng vi
cc s liu trn hnh chiu ni:
NATuan-ITIMS-2007
- Bc tip theo l phn tch cc hnh chiu ni thc nghim da vo gin atlat
chun xc nh cc cc c ch s hkl thp. V d :
Nhn vo gin thc nghim (bn tri) i chiu vi hnh chiu ni
chun 001 (bn phi) ta thy hnh chiu thc nghim ging vi hnh
chiu chun sau khi quay n i mt gc thch hp.
NATuan-ITIMS-2007

Gin hnh chiu ni chun 001
Xc nh nhanh tnh i
xng:
- i xng bc 4 (4-fold):
(100)
- i xng bc 3 (3-fold):
(111)
-
NATuan-ITIMS-2007

Xc nh cc gc c trng trong h lp phng
45
45
100 zone:
100
110 zone:
54.7 35.3 35.3 54.7

100 111 110 111 100
111 zone:
110
100
60
110
110
Cc gc ny l c trng cho s
c mt ca nhng cc no , l
ch giao nhau ca mt vng mt
phng l hnh chiu ca cc
trc vng.
NATuan-ITIMS-2007

Trong thc t c th ch quay theo 1 hoc 2 trc quay. Trong trng hp ch quay
tinh th theo 1 trc Phng php tinh th quay, hay phng php tinh th dao
ng. C th thc hin quay theo 1 trc v trt theo 1 trc khc.
Tt nht l chuyn ng quay theo c 3 chiu: phng php Cardan: 3 vng
trn ng tm c 3 trc quay vung gc nhau trong khng gian 3D. Mu t
tm chung ca 3 vng trn, v detector c quay theo mt vng trn khc.
Phng php nhiu x bn vng trn (Four Circle Diffractometor).
NATuan-ITIMS-2007

NATuan-ITIMS-2007

Z Phng php bt
Khi mu l a tinh th, ngay c khi s dng bc x n sc v tinh th c nh, vn
c nhiu x v mt nt mng nghch tng ng vi nhiu im trn mt cu Ewald.
NATuan-ITIMS-2007

Z Phng php bt
- K thut Debye (s dng film ghi chm tia nhiu x)
NATuan-ITIMS-2007

- My nhiu x tia X (nhiu x k) ghi tia X bng detector.
Gic k (goniometer) - S t tiu
ghi chm tia nhiu x.
S hnh hc ghi tia X nhiu

x (s t tiu)
NATuan-ITIMS-2007
B phn lc bng cc khe
Khe hn ch chm
tia tn x ngang
Khe hn ch chm tia tn
x thng ng (to chm
tia song song nm ngang)
Khe nhn chm
tia hi t
Detector
Mu
Khe hn ch
chm tia tn
Khe hn ch chm tia tn
x ngang
x thng ng (to chm
tia song song nm ngang)
Khe gii hn
chm tia phn
k theo phng
ngang
Ngun
pht tia X
NATuan-ITIMS-2007

Cc s t tiu Bragg-Brentano
- K thut hi t mt vng trn
(s -)
- K thut hi t hai vng trn

(s -2)
NATuan-ITIMS-2007

Kiu s t tiu Bragg-Brentano -
NATuan-ITIMS-2007

Kiu s t tiu Bragg-Brentano -2
NATuan-ITIMS-2007
NATuan-ITIMS-2007
Bi tp:
Xy dng cu Ewald cho cc phng php nhiu x sau:
- Phng php Laue,
- Phng php tinh th quay,
- Phng php bt (hay phng php Debye-Scherrier).
NATuan-ITIMS-2007
NATuan-ITIMS-2007

Cc my nhiu x k n tinh th
IPDS II
IPDS 2T
NATuan-ITIMS-2007

My nhiu x Rentgen
http://www.microphotonics.com/stadimp.htm
NATuan-ITIMS-2007
Gin nhiu x bt XRD hin th trn ca s mn hnh my tnh iu

khin nhiu x k.
khu vc gc
2-theta thp
thng quan
st thy hin
tng phn x
ton phn.
NATuan-ITIMS-2007

V d v mt gin nhiu x bt in hnh ca NaCl
NATuan-ITIMS-2007

Th ASTM (American Society for Testing and Materials)
_
5-628 X
NaCl
Sodium Chloride
Halite, Syn
1.5406
Filter Ni
d-sp
Rad. CuK1
[ 3.26
2.821
Cut off
Int. Diffractometer
I/Icor. 4.40
Ref. Swanson, Fuyat, Natl. Bur. Stand. (U.S.), Circ. 539, 2 41 (1953) 1.994
1.701
Sys. Cubic
S.G. Fm3m (225)
\ 1.628
a 5.6402
b
c
A
C
1.410
Z 4
mp 804o
1.294
Ref. Ibid.
1.261
Dm 2.17 SS/FOM F17 = 92.7(.0108,17)
Dx 2.16
1.1515
n 1.542
Sign
2V
]
1.0855
Ref. Danas System of Mineralogy, 7th Ed., 2 4
0.9969
Color Colorless
^ 0.9533
0.9401
X-ray pattern at 26oC. An ACS reagent grade sample
th
recrystallized twice form hydrocloric acid. Merck Index, 8
0.8917
Ed., p.956. Halite group, halite subgroup. PSC: cF8.
0.8601
0.8503
Ghi ch: XS th; Ys liu nh tnh; Z tn v cng thc
ho hc; [ s liu s dng nh.x k;\ s liu tinh th hc, 0.8141
(225) l s th t ca nhm KG (c 230 nhm KG); ] S
liu quang hc; ^s liu v mu; _s liu v gin nh.x
Int
hkl
13
100
55
2
15
6
1
11
7
1
2
1
3
4
1
3
2
111
200
220
311
222
400
331
420
422
511
440
531
600
620
533
622
444
Int
hkl
NATuan-ITIMS-2007

Joint Committee on Powder Diffraction Standards (1969)
International Centre for Diffraction Data, ICDF (1978)

1. S file; 2. Ba vch mnh nht; 3. Vch gc thp nht; 4. Tn v cng thc ho hc; 5. Cc
s liu v phng php s dng trn my nhiu x k; 6. Cc s liu tinh th hc; 7. Cc s liu
quang hc v nhng s liu khc; 8. Cc s liu v mu; 9. Cc s liu v gin nhiu x.
NATuan-ITIMS-2007

Nhm khng gian ca tinh th NaCl: Fm3m (225) (Theo k hiu Schnflies l Oh)
K hiu ngn ca
nhm im h LP
K hiu y ca
nhm im h LP
i xng Laue
S nhm KG
(gm 230 nhm KG)
ngha (xem thm ngha ca k

hiu Schnflies chng 1):
- H tinh th l LP (cubic) v mng
Bravais l LPTM (fcc).
- Gm c 4 trc i xng bc 3 hoc
3 tng ng nhau, 3 trc quay
bc 4 (Oh) v 6 trc bc 2.
- C 3 mt phn x vung gc vi
cc trc quay bc 4 v 6 mt phn
x vung gc vi cc trc bc 2.
C3
C3
C4
C3
C4
C2
C4
C2
NATuan-ITIMS-2007
CHNG 1: CU TRC CA VT RN
Hnh chiu ni s dng trong biu din i xng tinh th hc
Hnh chiu ni ca mt tinh th Cubic.
Hnh chiu cu ca mt tinh th Cubic.

Cc im vln lt k hiu
ch ct ca cc trc quay bc 4, 3, v
2 trn b mt hnh cu.
NATuan-ITIMS-2007

6) Cc ng dng ca XRD
Da trn nhng du hiu ch yu cung cp thng tin v mu trn cc gin

XRD nh sau:
V tr cc peak nhiu x
rng ca peak nhiu x
Cng nhiu x ca peak
Mt s ng dng in hnh ca k thut XRD. V XRD l mt k thut khng ph
hy, nn c th s dng :
Xc nh pha tinh th (c nh tnh v nh lng);
Xc nh s nh hng tinh th;
Xc nh cc tnh cht cu trc: Cc hng s mng (10-4 ), ng sut/bin
dng mng, kch thc ht, s sp xp tinh th (expitaxy), thnh phn pha,
s nh hng u tin (Laue, texture), chuyn pha trt t-khng trt t, dn
n nhit;
o chiu dy mng mng v mng a lp;
Xc nh s sp xp cc nguyn t;
Tm cc gii hn dung dch rn hay hp kim;
v.v...
NATuan-ITIMS-2007

Nhng thng tin thng c khai thc t cc gin XRD.
V tr ca peak - Gc 2-Theta (hkl)
T xc nh c b cc vch c trng ca mt pha tinh th xc nh. Ngha l

xc nh pha nh tnh (t nht cng c mt b gm 3 vch mnh nht khng trng
nhau), cng nh xc nh c mt nguyn t tng ng no gy ra phn x (hkl)
v khong cch gia cc mt : dhkl = /2sinhkl
NATuan-ITIMS-2007
rng ca peak
- Trong phng php bt hay a tinh th, s m rng ca vch nhiu x c nhiu
nguyn nhn: do nhit , do sai s thit b (c kh,), do ng sut ni, v c bit l
do kch thc cc vi tinh th. Sau khi loi tr cc yu t m rng vch khc, ng
gp ca kch thc tinh th vo s m rng vch nhiu x c xc nh qua cng
thc Scherrer: rng ca na vch nhiu x:
- Cng thc ny thng c s

dng xc nh kch thc tinh
th (n tinh th), hay cn gi l ht
vi tinh th trong mu.
Ch : Kch thc tinh th c th rt
khc vi kch thc ht hnh thnh
trong qu trnh kt tinh kim loi. Cc
ht ny thng l a tinh th.
- xc nh chnh xc kch thc tinh th, thng phi loi tr cc nguyn nhn m
rng vch khc, nh do my, do nhit v vi ng sut, sau ch qut trong phm vi
gc 2-theta ca 1 vch nhiu x c trng nht (xem hnh trn), v s dng cng thc
Scherrer.
Lu cch gi: rng na vch (khng gi l na rng vch).
NATuan-ITIMS-2007
Cng ca peak nhiu x
- nh lng pha (Phase quantification) c mt trong mu c xc nh thng

qua o cng tch phn ca vch nhiu x, so snh vi cng tch
phn ca mu chun tnh cng t i, t rt ra t phn pha c mt
trong mu.
(phn ny s xt n k hn chng 6)
NATuan-ITIMS-2007

- Cng ca peak nhiu x phn nh s tn x tng cng t mi mt phng trong
cu trc tinh th ca pha c mt trong mu, v ph thuc trc tip vo phn b cc
nguyn t c th trong cu trc . V vy cng peak nhiu x rt ph thuc
vo c cu trc v thnh phn ca pha.
- Phng trnh cng nhiu x t pha no c trong mu, nh s thy sau
ny, gm cc thnh phn (cc tha s tn x) nh sau:
trong :
NATuan-ITIMS-2007

- Cc s hng trn y c th c nh ngha li bng cc hng s thc nghim (ch
ph thuc vo cch b tr thc nghim c th) v n s, l t phn th tch ca pha
cn c xc nh, X.
Khi cng ca peak nhiu x hkl ca pha c trnh by n gin hn:
Trong Ke l hng s thc nghim, K(hkl) l tha s cu trc ca pha , l mt

ca pha , v (/)s l h s hp th khi ca mu.
-
NATuan-ITIMS-2007

Mt s v d ng dng ca XRD
Quan st hiu ng ca kch thc

kt m (Coherent Domain Size)
Kch thc cc ht kt t t cc ht
siu mn Cu70Zn30 ch to bng phng
php nghin quay ngui (nghin trong
nc) tng ln khi tng nhit .
NATuan-ITIMS-2007
Quan st nh hng ca nhit ln s r pha ca YBa2Cu3O7-
NATuan-ITIMS-2007
Quan st s chuyn pha cm ng in trng ca n tinh th
S tch vch (330) l do s c

mt ca cc domain <111> pha
mt thoi (Rhombohedral phase)
Vch (330) tch thnh pha t

gic (Tetragonal phase)
NATuan-ITIMS-2007
Quan st nh hng ca ng
sut gy bin dng mng tinh th
thng qua s dch vch nhiu x
v s m rng ca vch nhiu x
NATuan-ITIMS-2007

2.2.6. CNG NHIU X
-
Trc y cho thy bin , hay cng nhiu x c biu din qua hai
thnh phn ng vi hai tha s: Tha s mng Z(s) v Tha s cu trc F(s):
A( s )
= F ( s) Z ( s)
Ae ( s )
T bi ton nhiu x c xt n hai kha cnh: kha cnh hnh hc ca
nhiu x, ch quan tm n vn c tnh nh tnh, mang bn cht hnh hc:
iu kin hnh hc v nhng v tr trong khng gian xut hin cc cc i
nhiu x.
-
Phn tip theo ca bi ton nhiu x l xt kha cnh nh lng, l cng

nhiu x. Thc t l xt n tnh tng tc ca tia X vi cc i tng gy ra
nhiu x. l tng tc ca tia X vi in t, nguyn t v mng tinh th, l
nhng yu t chnh gy nn s thay i v lng ca cng nhiu x.
Ngoi ra mt s yu t khc cng gy nh hng khng nh n cng nhiu

x, nh dao ng nhit (yu t nhit ), hp th, vi hp th, gc nhiu x, s phn
cc ca tnh n sc, tnh i xng ca h tinh th,
NATuan-ITIMS-2007

1) Tha s cu trc F(s)
Tha s F(s) c chc nng l xc nh bin hay cng nhiu x c lin
quan n cc v tr c th c m tha s mng ch ra.
-
T nhng lp lun tng t nh ca trng hp tha s mng Z(r) trc y, c

th thu c bin i Fourier cho trng hp ca tha s cu trc F(r) nh sau:
(Bin i Fourier thun /v cc v tr trong mng thun)

(Bin i Fourier ngc /v cc v tr trong mng nghch)
r r
r r*
F (r rpqr) = (s rhkl )
r r*
r r
1
F (s rhkl ) = (r rpqr)
()
T c th vit bin tn x nh sau, nh trc y tng lm i vi tha

s mng:
Nhn xt:
rr
r r*
r
A( s)
= N (s rhkl ) F(s )
Ae (r)
()
+ iu trn y cng cho thy rng v tr ca cc vt nhiu x cng c quy

nh bi cc vect mng Bravais trong khng gian mng thc.
+Trong khi , cng ca cc vt nhiu x lin quan n cc nt mng nghch
ng vi cc nt mng Bravais , c quy nh bi tha s cu trc F(s).
NATuan-ITIMS-2007

- Ta nh ngha li F(s) di dng thng dng nht m trc y tng vit cho bin
A hoc cng I:
r
F (s ) =
r 2 isr rr
( r )e dv rr
cell
- Chuyn sang cc ta "tm nguyn t" (atom-centered coordinates) trong n v,

ngha l chn gc to ti tm ca mt nguyn t nt mng, ta c (lu s chuyn
i t sang ):
NC
r r
r
2 is rn
F (s ) = fne
n =1
trong fn c gi l tha s cu trc nguyn t th n (tha s ny s c xt

n trong phn tn x bi nguyn t), NC l s nguyn t trong mt n v.
- Nh thy trc y, iu cn thit i vi s l n chnh l mt vect mng nghch
r*hkl. Do c th thay s bng r*hkl trong biu thc trn, v cng vit rn trong khng
gian thc di dng cc vect mng thun nh sau:
rn = xna + ynb + znc

Khi :
NC
NC
r* r*
r
r
r*
r
r
F ( s ) = f n exp[ 2i ( h a + kb + lc ) ( x n a + y n b + z n c )] = f n e 2i ( hx n + ky n + lz n )
n =1
NATuan-ITIMS-2007

Mt s tnh cht cn lu i vi hm exp khi (hx + ky + lz) l nhng
s nguyn (iu kin Laue c phn x)
a) ei = e3i = e5i = = - 1
e(2n+1)i = - 1 vi n = 0, 1, 2, 3,
b) e2i = e4i = e6i = = + 1
e(2n)i = + 1 vi n = 0, 1, 2, 3,
c) Ni chung,
eni = (- 1)n
vi n = 0, 1, 2, 3,
d) eni = e-ni vi n = 0, 1, 2, 3,
e)
ei + e-i = 2 cosx
Tha s cu trc:
Lu cc tnh cht ca hm exp
NC
r
2 i ( h x n + k y n + lz n )
F (s ) = fne
1
NATuan-ITIMS-2007

Cc v d v tnh ton F(s) Hiu ng dp tt c h thng:
1. Mng tinh th vi c s ch c 1 nguyn t:
(v d mng SC)
t nguyn t v tr x,y,z = 0,0,0 F(s) = Fhkl = f.

Ngha l mi nt mng nghc s c bin f.
2. Mng tinh th vi c s c mt loi nguyn t tm khi: (v d mng BCC)
t gc ta sao cho 2 nguyn t trong xut hin v tr x,y,z = 0,0,0
v , , . F(s) = Fhkl = f .[1 + i(h + k + l) ] = 0 nu h + k + l = s l
= 2f nu h + k + l = s chn
3. Mng tinh th vi c s c mt loi nguyn t tm mt: (v d mng FCC)
Khi cc nguyn t c t (0,0,0); (, , 0); (0, , ), v (, 0, ).
Fhkl = f .[1 + i(h + k) + i(k + l) + i(h + l)]
= 0 nu h,k,l l hn hp c s l v chn.
= 4f nu h,k,l hon ton l s l hoc
hon ton l s chn.
NATuan-ITIMS-2007

Bi tp: Hy xt tha s cu trc Fhkl trong trng hp tinh th CsCl
Gi : - CsCl c mng kiu BCC, trong cc nguyn t nt nh l cc
nguyn t Cs;
- Tha s cu trc ca mng l tng cc tha s cu trc ca
mi lai nguyn t ring bit.
Cl
- Nguyn t Cs nh x 0,0,0
- Nguyn t Cl nh x , , .
Fhkl = fCs + fCl .i(h + k + l) =
fCs + fCl khi (h + k + l) = s chn

fCs - fCl khi (h + k + l) = s l
NATuan-ITIMS-2007

Cc iu kin dp tt h thng do cc phn t i xng tnh tin.
P: mng nguyn thy. A, B, C: tm y trn cc mt -a, -b, -c, tng ng.

I: tm khi; F: tm mt. 21||b: biu th mng c cnh di nht l trc b. K hiu ny
cng biu th trc xon bc 2 song song vi trc [010].
NATuan-ITIMS-2007

S vng mt h thng ca cc cc i nhiu x trong h lp phng
BCC (lp phng
tm khi)
Tng (h + k + l) chn
Bt k t hp no ca
FCC (lp phng

tm mt)
Tt c h, k, l hoc u
h, k, l
l chn, hoc u l l
100
110
110
111
111
200
200
200
210
211
211
220
220
220
300, 221
10
310
310
11
311
311
12
222
222
222
h2 + k2 + l2
Lu n hng nhiu x cp trn
SC (lp phng
n gin)
NATuan-ITIMS-2007

2) Tha s tn x tia X bi nguyn t
-
i tng gy nn s tn x chm tia X bn trong hp en (mng tinh th ca

cht rn) l cc nguyn t. Trong bi ton xt y, cc ng.t c coi nh l
cc tm tn x hiu dng, v trong thc t, gy ra s tn x sng ti chnh l cc
in t lp v ca nguyn t. Cc in t ny c quy v mt in tch im
t khi tm ca nguyn t.
Tia X l mt dng ca bc x in t khi tc ng ln in t s gy chuyn

ng dao ng cho cc in t vi tn s bng
tn s dao ng ca sng ti cc in t c
gia tc di tc dng ca trng in t ny.
Cc ht in tch khi c gia tc s to ra (bc

x) trng in t.
Cc in t khi b kch thch
dao ng bi chm tia X ti s pht ra trng in

t th cp theo tt c cc hng v c tnh tun
hon ging nh sng kch thch, v trong thc t
s tip tc pha ca sng kch thch .
NATuan-ITIMS-2007

Nh vy trng in t th cp, l trng tun hon mi pht ra t in t,
chnh l sng tn x.
- Trong trng hp .t gy ra tn x bi sng ti, nhng lm thay i mt trng thi
lng t khc, th sng tn x s b thay i bc sng i cht: lng thay i ny
tng ng vi nng lng b in t hp th. l trng hp tn x khng
n hi
Ch : v nguyn tc, cc photon ca sng ti c th gy ra kch thch cho cc ht
in tch ht nhn (proton), nhng vi khi lng ln ca cc ht ny, s dao ng
l rt khng ng k, cc kch thch l qu nh khng pht hin c.
- Nh trn y cho thy (38) bin tn x c th biu din di dng:
r ikr .rr
A(k )
= (r )e dvrr
AI (k )
(38)
Gi s tm ca cc ng.t c t cc v tr c xc nh bng cc vect r1,

r2, r3, v gi thit rng mt ca m my in t xung quanh ht nhn ng.t
th n l n(r - rn). Lu : r l to ca im bt k trong khng gian ca hp
en, rn l to khi tm ca ng.t.
NATuan-ITIMS-2007

Do mt tng cng ca in t s l:
r
r r
(r ) = n (r - rn )
(52)
Thay (52) vo (38), ta c:
Tha s
chung
r r
r r ikr .rr
r r ikr .( rr rrn )
A( k )
ik . rn
= n ( r rn )e dvrr = e
dvrr
n ( r rn )e
AI ( k ) n
n
(53)
(tch phn ca mt tng bng tng cc tch phn vi tha s chung c rt ra)
Nhn xt:
*) S hng tch phn trong (53) chnh l biu din bin ca tn x bi
nguyn t th n (khng ph thuc vo nguyn t khc). t tch phn
ny nh sau:
r
r r ikr.(rrrrn )
X
fn (k) = n (r rn )e
dvrr
(54)
Tch phn ny c gi l Tha s tn x tia X bi nguyn t.

(Lu : Tha s cu trc ca nguyn t fn cp trn y chnh l fn X y).
NATuan-ITIMS-2007

Bin tn x c ng gp bi cu trc nguyn t, v (38) by gi tr thnh:
r
r ikr .rr
A(k )
X
= f n (k ).e n
AI (k ) n
(55)
**) Nhn thy rng gi tr ca fnX gn nh c lp vi trng thi tch t, ngha l cu

hnh in t l ca ton b nguyn t, trong khi cc in t ho tr quy nh
kiu nguyn t.
Tuy nhin, /v cc nguyn t c nguyn t s Z ln, cc trng thi ho tr khc
nhau thng ch dn n nhng nh hng rt nh i vi tha s tn x nguyn
t nhng t l bt k.
***) Cng nhn thy bin tn x (55) c cng dng vi biu thc (13) trc y,
ch khc ch rn trong b/th (55) biu din v tr ca cc tm khi ca nguyn t
hn l biu din v tr ca cc in t; v fnX(k) c thay th tnh cho cng
tn x ring ca nguyn t th n. Do cc nguyn t c xem nh l
cc tm tn x hiu dng.
NATuan-ITIMS-2007

- Kho st v dng ca tha s tn x nguyn t. C th vit tha s ny di dng
nh sau:
r
f (k ) =
r ikr .rr
n (r )e dvrr
X
n
(56)
(one atom
of type n )
+ Nhn thy rng ti k = 0 (ngha l 2 = 0), ta c:
f ( 0) =
X
n
r
n (r )dvrr = Z n
(one atom
of type n )
(57)
trong Zn l nguyn t s ca nguyn t kiu n.

+ nhng gc cao hn, k = 4sin/, bin ca fnX gim lin tc:
f X(k)
1
Tha s tn x nguyn t ca Hydro

S dng biu thc (64):
n(r) = Cexp(-r/0.48)
Cc gi tr c
tnh t hm sng
chnh xc
k = 4sin/
NATuan-ITIMS-2007

- Lp lun v khuynh hng gim bin ca tha s tn x nguyn t f X vng k
ln:
*) Gi thit mt in t c i xng cu, nh /v nguyn t Hydro v Heli.
Khi n(r) n(r) v s ph thuc gc c quy v vic kho st hm trong
k
h to cu. s bng 0 khi r hng dc theo k v mt phng
cha vung gc vi k. V vy k. r = cos, v dvr = r 2 sinddr.
T ta c:
r
f nX ( k ) =
ik . r cos 2
(
r
)
e
r sin d d dr
n
(58)
0 0 0
Ly tch phn theo ton b (= 2) ta c:
X
n
( k ) = 2
ik . r cos 2
(
r
)
e
r sin d dr
n
(59)
0 0
t u = cos v ly tch phn theo u, ta c:
X
n
( k ) = 2
n (r )e
ik . r . u
r dudr = 2
2
0 1
2
r
n (r )
1 ik . r
e
e ik . r dr (60)
ikr
sin k .r
dr
kr
(61)
hay:
X
n
( k ) = 4
2
r
n (r )
0
NATuan-ITIMS-2007

**) C th thy mt in t n(r) trong (60) v (61) c th ly gn ng bng
C.e- r/a i vi mt trng thi qu o s (l C v a cc hng s). Thay tr li (61),
ta c biu thc ca tha s tn x nguyn t chnh xc i vi H v He, cn gn
ng bc nht i vi cc nguyn t khc:
2C
2C
( 1 / a + ik ) r
( 1 / a ik ) r
r / a
ikr
ikr
re
dr
re
dr (62)
re
e
e
dr
f nX ( k ) =
ik 0
ik 0
0
Ly tch phn tng phn, ta c:
X
n
2 C r b1 r
(k ) =
e

ik b1
1 b1 r
2 e
0 b1
r b2 r
+
e
0
b
1 b2 r
+ 2 e
0 b2
(63)

0
y b1 = 1/a - ik; b2 = 1/a + ik.

S dng quy tc L'Hospital nh gi hm cc ln cn 0 v , ta thy:
2
1
1 8C 1
2
(64)
+
+
+
=
+
k
0
0
2
2
2
b1
b2
a a
Nh vy th biu din hm fnX trn y biu din quan h gia (1/a2 + k2)-2
i vi k = 4sin/ vi a = 0.48 l trng hp ca hydro. Khi C c tm ra bng
cch t fnX = 0, v ZH = 1. Cch tnh n gin trn y cho kt qu kh gn vi
nhng tnh ton chnh xc hn.
2C
f nX ( k ) =
ik
NATuan-ITIMS-2007

***) Ni chung tha s tn x ng.t i vi vt liu bt k u c tnh ton theo
cch nh trnh by trn, ngha l bt u vi mt in t (r) c ly t
c hc lng t.
Trong tt c cc trng hp, fX(0) = Z v ng cong ca fX(k) i vi k u gim
tng t nh th trn y.
****) Cn lu rng khi chm tia X ti c kh nng kch thch mnh mt lp v ng.t
K hay L n mt trng thi c nng lng cao hn, c th c s khc bit i
cht i vi dng iu gim chung ca tha s tn x khu vc k ln. iu ny
ch xut hin khi gn vi mt gi tr ti hn no .
Ni chung tha s tn x tia X bi nguyn t c cho bi:
f = f 0 + f ' + i f
''
(65)
trong f v f c ly t cc tha s tn x nguyn t c in f. Chng

c gi l cc hiu chnh tn sc.
NATuan-ITIMS-2007

Sau y s xt tng trng hp c th nhng nh hng n cng tn x
1) Tn x bi mt in t
- Bc x tia X c trng pht ra t ng pht ni chung l khng phn cc.
Nhng qu trnh tn x lm cho chm tia nhiu x b phn cc mt phn.
Lng phn cc ny ph thuc vo gc tn x.
Cng tn x bi mt in t bin thin theo gc:

Cng tn x Ie khong cch R t mt in t t do l (cng thc Thomson):
e 4 sin 2
I e = I 0 2 4
2
m
c
R
Lin quan n
bn knh in
t c in, re
z
y
trong Io l cng chm tia ti, l gc gia
phng tn x v phng gia tc ca in t.
z
O
- Gi s in t t O. Chm tia ti dc theo XX'

v khng phn cc (
, hay phn cc trn)
X'
y y = 90o
E
E2 = E2y + E2z v v trung bnh Ey = Ez Io = Ioy + Ioz
S
NATuan-ITIMS-2007

- in t lm tn x chm tia ti v chm tia tn x hng dc theo OD, to mt gc
2 vi phng ca chm tia ti. Chm tia tn x c s phn cc nht nh (
).
- Thnh phn y ca chm tia ny gia tc in t theo phng OE to mt gc y = 90o
so vi phng tn x OD; gy ra cng tn x bng:
4
sin y
e
1
I ey = 2 .I 0 2 4
=
2
m c R
2
e
1 .I
2 0
2 4 2
m c R
- Thnh phn z gia tc in t theo phng ON, to mt gc z = (90o - 2) so vi

phng tn x OD; gy ra cng tn x bng:
4
2
e
sin
z
1
I ez = 2 .I 0 2 4
=
2
m c R
2
e
1 .I
cos 2
2 0
2 4 2
m c R
- Do vy cng tn x tng cng trong phng OD bng: Ie = Iey + Iez
e4
e 4 1 + cos 2 2
= I 0 2 4 2 .( )
I e = I 0 2 4 2
2
m c R
m c R
- i lng () = 1 + cos22)/2 chnh l tha s phn cc, c trng cho tn
x bi in t.
NATuan-ITIMS-2007

2) Tn x bi mt nguyn t
Sng b tn x bi tt c in t trong nguyn t. Hn na, sng tn x c cng
chiu di qung ng i vi hng chm tia ti, v do c cng pha.
Bin sng tn x theo phng tn x t ton b

nguyn t s t l vi s in t c trong nguyn t
tnh theo phng ti. Tuy nhin, theo phng khc,
cc in t ny khng nht thit phi cng pha.
- Cc in t ca mt nguyn t phn b trong
mt vng khng gian c kch thc c nh
Hiu qung ng
bc sng ca tia X s dng trong nhiu x.
Sng to thnh s giao thoa mt phn v
lm gim bin ca sng tn x trn ton b

nguyn t. Sng tr nn lch pha hn khi
gc tn x tng ln Bin gim nhanh.
A
1
B
NATuan-ITIMS-2007

Bin tn x mt gc c th ph thuc vo s in t (do ph thuc vo
trng thi lin kt ha hc ca nguyn t), ph thuc vo s phn b in t trong
nguyn t, v ph thuc vo bc sng ca bc x ti.
- Hiu sut tn x bi mt nguyn t theo mt phng c th chnh l: fo = AA/Ae
trong AA l bin sng tn x t ton b nguyn t, Ae l bin ca sng tn
x t mt in t t do. fo c gi l tha s tn x nguyn t (trc y khi
xt trong mng c nhiu nguyn t, k hiu l fn).
IA = Ie fo2
Tha s tn x nguyn t : f o = D (r )dr

0
sin[4r (sin / )]
4r (sin / )
D(r) = 4r2(r) l sc xut tm ra in t nm trong khong gia bn knh r v r + dr
Do D(r)dr = Z, chnh l tng s in t c trong khang gia hai mt cu bn

knh r v r + dr.
+
4 r (sin/) biu din lch pha do cc in t khong cch r so vi mt phng

phn x i qua tm nguyn t .
(Lu : Tn x bi nguyn t ch yu l tn x bi m my in t).
NATuan-ITIMS-2007

- Tha s tn x nguyn t fo ph thuc ch yu vo sin/ .
Cc s liu tn x nguyn
ZAg = 47
ZBr = 35
t c biu din theo s hng

sin/ ny.
- Cng sut nhiu x ca mt s
fo
ZFe = 26
ZCa = 20
ZCl = 17
ZAl = 13
nguyn t v ion.
- Cc i ca fo ti sin/ = 0,
ng vi = 0.
- fo gim khi tng .
- Thy r fo gim theo Z.
ZO = 8
ZC = 6
Khi thay i, fo thay i nh th no?

NATuan-ITIMS-2007

3) Tn x bi mt c s
- Trn y thy s tn x
tia X t mt nguyn t ph
thuc vo s phn b ca
in t trong nguyn t.
C th nhn nh rng s
tn x trn mt n v s
ph thuc vo s sp xp
cc nguyn t trong .
- Trong khi s dch chuyn ca cc mt Q v R, tng

ng l xQ, xR.
lch pha gy nn bi cc mt phn x ny tng
ng l:
Q = 2xQ/dhkl ;
R = 2xP/dhkl.
- Kho st cu trc tinh th

gm 3 lai nguyn t: P (t
nt mng gc), Q v R, vi h
thng cc mt phn x (hkl) v
khong cch gia chng l dhkl.
lch pha ca cc phn
x t cc mt P k tip l 360o,
hay 2, v hiu qung ng
ca cc tia phn x t cc mt
ny l 1.
xQ
xR
NATuan-ITIMS-2007

F(hkl) = (A2 + B2)1/2
(hkl) = arctan(B/A)
Biu din cc thnh phn

lch pha ca cc mt hkl
ng vi nguyn t P, v
cc mt dch chuyn nh
ca cc nguyn t Q v R.
Biu din cc thnh phn lch bin khi phn x

t cc mt hkl ng vi nguyn t P, v cc mt
ca cc nguyn t Q v R b dch chuyn nh.
- i vi mt c s c m nguyn t:
F (hkl ) =
[( f
0 , r cos r ) + ( f 0 , r sin r )
2
1/ 2
trong f0,r l tha s tn x nguyn t, 0,r l tha s pha ca nguyn t v tr r.

f 0,r sin r
- Gc lch pha i vi mt hkl t mt c s s l: (hkl ) = arctan

f 0,r cos r
hp tn x
- Cng tn x bi c s: IC/IA = |F(hkl)|2 (tng t nh trng
xR
xQ
bi nguyn t, nhng y thay f0 bng |F(hkl)|).
NATuan-ITIMS-2007

- Biu din tha s pha trong biu thc ca bin cu trc theo v tr cc
nguyn t trong c s.
O
* V d: Xt mng 2-D, gc O.
* Gi thit h mt (hk) cho phn
(1/k)b
b
xra
(1/h)a
x bc nht. Mt hk gn gc nht
yrb
xr, yr
ng.t r
c cc on ct (1/h)a v (1/k)b
(hk)
trn cc cnh c s.
* lch pha t cc mt ny l 2
theo hai hng a v b.
* Xt nguyn t r c ta xr, yr
tng ng lch khi gc O mt an xra v yrb theo cc cnh a v b.

lch pha t cc on lch gc ny tng ng l:
r(a) = [xra/(a/h)]2 = hxr2
r(b) = [yrb/(b/k)]2 = kyr2
lch pha tng cng i vi nguyn t r l: r = r(a) + r(b) = 2 (hxr + kyr)

trong khng gian 3-D:
r = 2 (hxr + kyr + lzr)

NATuan-ITIMS-2007

- T nhng iu trn y (thay th cc tha s pha vo bin cu trc trn) ta c
F ( hkl ) =
{[ f
] [ f
2
+
0 , r cos 2 ( hx r + ky r + lz r )
0 , r sin 2 ( hx r + ky r + lz r )
]}
2
Nhn xt:
1-
|F | ph thuc vo loi nguyn t c trong c s v v tr ca chng.

(f0,r)
(cosr & sinr)
2- Cc s hng cosr & sinr thng c gi l tha s cu trc hnh hc v l

hm ca ta nguyn t c trng cho nhm khng gian ca tinh th.
3- Gc lch pha ca cc mt phn x thuc h (hkl) `n gin l hm ca ta

nguyn t
(hkl ) = arctan
f 0,r sin 2 (hxr + kyr + lz r )
0,r
cos 2 (hxr + kyr + lz r )

NATuan-ITIMS-2007

4) Tha s nhit (Tha s Debye):
-
Tha s tn x trn y (tn x bi nguyn t) c xt vi gi thit nguyn t

trng thi tnh.
Trong thc t, s dao ng nhit ca cc nguyn t lm s x dch v tr ca

chng. Nhit cng cao cc nguyn t dao ng cng mnh. Theo thut ng
ca khi nim phn x Bragg, khi c dao ng nhit, mt mt phng phn x
khng cn l mt mt phng ton hc.
Cc sng phn x tha mn gc Bragg s khng chnh xc cng pha ln
ca tha s cu trc hnh hc s nh hn so vi d on t cc tha s tn x
nguyn t.
- Vi bt k tinh th no, s nh hng ca dao ng nhit ln bin cu trc
hnh hc cng tng ln theo gc Bragg, v = arcsin(n/2d), v tng ln theo
T.
Debye: Tha s tn x ca mt nguyn t mt nhit thng thng (T) c
quan h vi tha s tn x ca n trng thi tnh (To) qua biu thc:
B sin 2 , trong B th hin s x dch khi v tr cn bng ca
T = T 0 exp
cc nguyn t. B ph thuc vo loi nguyn t v s
2
nh hng ca cc mt phn x trong tinh th.

-
nh gi nh lng T ch c tnh cht gn ng.

NATuan-ITIMS-2007

5) Tha s hp th
- Cc chm tia ti v chm tia phn x b hp th mt phn khi i qua tinh th.
Cng phn x b suy gim.
- H s hp th ph thuc vo:
* H s hp th ca tinh th
* Thit din ngang
* Trong trng hp mu bt, ph thuc vo h s p cht (mt xp cht ca
cc ht tinh th).
Cng phn x thay i theo gc Bragg.
+ Mt mu c hp th tia X cao s
bj hp th nhiu nht su bn
trong mu (tm), tng ng vi
cng phn x yu nht; b phn
x cng nhiu khi cng ra gn bin
(b mt).
+ Khi gc tng ln phn th tch
ng gp cho phn x tng ln
cng chm tia phn x cng ln
hn, ngha l hp th gim i.
NATuan-ITIMS-2007

nh lut Beer:
H s tuyn qua:
= It/Io = e-t
trong t l chiu dy m tia X i qua, l h s hp th thng.

- Gi h s hp th nguyn t l a
(cm2):
A
a =
N0
n
trong / l h s hp th khi. = m
Vuc
cm 2
-1
(
)
cm
ai
i =1
vi A l trng lng nguyn t, nm l s ca phn t, mi phn t c m nguyn t

trong th tch Vuc, N0 l s Avogadro.
H s truyn qua , hay y cn gi l tha s hp th, ph thuc vo bn

cht ca mu v bc sng tia X ti. (Xem thm bng cc h s hp th khi ca
cc nguyn t vi cc bc sng tia X s dng khc nhau Slide 49 v 50 trn y).
- Sau y s cho thy s ph thuc vo gc Bragg ca tha s hp th .
NATuan-ITIMS-2007

- Trong thc nghim nhiu x tia X bi mt tinh th, hoc mu ca bt tinh th, ni
chung tt c cc tia X u khng c cng chiu di qung ng i trong mi
trng.
- Chm tia ti c cng I0 p ln mu s b gim cng xung cn Ioe-t1
su t1 trong th tch mu, v tia nhiu x b gim cng tng t sau khi
i qua khong cch t2 trc khi ra khi tinh th.
x
t1
t2
y
Itr.qua( = 0)
(hkl)
- Tha s truyn qua tr thnh:
Ph thuc gc Bragg
(hkl ) =
1
Vcrystal
Ph thuc v tr
[ t1 ( xyz ) + t 2 ( xyz )]
e
dxdydz
Itr.qua(2)
, y tch phn c ly qua th tch
Vcrystal ca tinh th.
NATuan-ITIMS-2007

* Nhng lu :
- Tha s hp th tng khi gc gim >< Tha s nhit tng khi gc tng.
- Trong thc t hai tha s hp th v nhit gn nh trit tiu ln nhau nhng
tinh th c h s hp th va phi.
- C th tnh c tha s hp th ca tinh th c hnh dng bt k. Mc hiu
chnh chnh xc ca s hp th ty thuc vo mc chnh xc trong vic xc nh
dng , do ph thuc vo vic xc nh c chnh xc di qung ng
ca cc tia ti v tia nhiu x.
- D d dng xc nh qung ng tng i chnh xc ch to mu c hnh
dng xc nh: thng l hnh tr hay cu.
- Dng mu hnh cu l l tng cho vic chun ha XRD i vi n tinh th.
Tuy nhin nhiu tinh th kh to dng cu, nn ch c th to c dng gn cu.
- gim nh hng ca s hp th, mu cn c ch to c kch thc nh.
- khng cn phi hiu chnh s hp th, mu cn c kch thc c 0.1 mm (100
m). kch thc ny, c th b qua s hp th trong mu.
NATuan-ITIMS-2007

S dp tt s cp v th cp
- S dp tt s cp:
Trong mt n tinh th l tng hon ho, mt s lp b mt b ri vo tnh
trng hu nh phn x ton phn nng lng ti, n mc phn su hn bn
trong tinh th khng nhn c bc x ti. Vic chn cc lp bn di bi
nhng lp bn trn trong mt tinh th hon ho gi l s dp tt s cp.
- S dp tt th cp:
Ngay c vi mt tinh th khng l tng, nhng c cu trc kiu "khm trai"
(mosaic) ca cc khi tinh th c kch thc nh sp xp khng trt t m
s dp tt s cp khng xy ra, th chm tia ti chiu vo mt khi su bn
trong tinh th c khi t hn so vi s hp th thng thng.
Hiu ng ny xut hin vo lc iu kin phn x c tha mn v l kt qu
ca vic chm tia phn x bi cc khi sp xp ging nhau gn b mt tinh
th b i ra khi chm tia ti. l hiu ng dp tt th cp.
- Hiu ng dp tt th cp thng xy ra hn hiu ng dp tt s cp.
- C th b xung h s dp tt vo h s hp th thng thng.
NATuan-ITIMS-2007

6) Tha s Lorentz
- Trong cc phng php nhiu x n tinh th, trong mu c cho chuyn ng
trong vng ca chm tia X chiu ti (nh phng php n tinh th quay, hoc dao
ng), cc mt phn x trong tinh th ln lt c bin i tng ng vi nhng
gc tho mn iu kin Bragg ln lt thc hin phn x.
- Tc m cc mt phng tri qua cc iu kin Bragg thay i theo gc nhiu x,
mi php o cng phi c hiu chnh ring bit i vi nhau theo thi
gian m mt mt phng c th mt quay qua gc Bragg .
Dng ca hiu chnh ny chnh l tha s Lorentz, ph thuc vo phng php
ghi phn x.
P
- Hnh hc ca iu kin Bragg
1/d
- y chnh l vng trn phn x Bragg ca tp

hp cc mt phng phn x c khang cch d
ca tinh th t v tr R (cu Ewald). P chnh
l vt cc i nhiu x trong khng gian nghch.

NATuan-ITIMS-2007

- T nhng minh ha hnh v (PXR) = v
(RPX) = 90o PR/XR = sin PR ~ 1/d,

XR ~ 2/.
(ROP) = 2 OP // phng
1/d = 2sin/
VN
phn x.
- Gi thit tinh th quay vi vn tc gc khng i
(RPX) = 90o
1/
quanh trc ti R v vung gc vi mt phng

cha hnh trn tm O.
Khi iu kin Bragg cho cc mt phng ang xt ( im R) lun c tha
mn trong sut qu trnh quay m im P nm trn chu vi ca ng trn quay
quanh im R.
- Thi gian cn thit im P ct ng trn tm O ph thuc vo vn tc ca
im P v gc m n ct ng trn tm O, gi s vi thnh phn vn tc l
VN vung gc vi chu vi ng trn tm O.
- Nhn xt:
* Cc im xa R (ng vi khong cch gia cc mt nh, gc ln) s
chuyn ng nhanh hn cc im gn R, nhng ct qua ng trn
nhng gc nghing hn.
NATuan-ITIMS-2007

* Vn tc V ca im P l: PR = (1/d) = [(2sin)/]
Vn tc ny c hng dc theo PX.
- T ta c:
2 sin
sin 2
VN = V cos =
cos =
- Gi E l nng lng tng cng ca bc x b phn x bi mt h cc mt m lm

cho P ct ngang qua chu vi ca ng trn phn x Bragg, th ta c cng tn
x bi tinh th s l:
sin 2
E VN = E
= Ic

- Tch trn y l khng i i vi mt cng chm tia cho trc.

- H thc trn y c th c vit li di dng nng lng trong khun kh ca
vn tc gc ca tinh th:

E = I c
sin 2
- V nng lng E = I.t , vi t l thi gian, lng /2sin biu th thi gian m cc
mt phn x tng ng cn phn x nng lng E. 1/2sin biu din thi gian
tng i m bt k mt phng tinh th no cn quay khong gc nh ca m s
phn x xut hin.
L() = 1/2sin chnh l tha s Lorentz.

NATuan-ITIMS-2007

7) Tha s lp li
- S ca cc mt phng ring bit ct mt c s trong mt h hkl c th c gi
l tha s lp li, Mhkl.
- i vi nhng h c i xng thp, h s lp li cng lun thp.
- i vi nhng h c i xng cao, h cc mt n c th c lp li nhiu ln bi
cc php bin i i xng, mi ln lp li s lm tng thm cng nhiu x.
VD: h lp phng n gin, mi mt tinh th c 1 mt cho (110) v 1
mt tng ng (-110). Vi 6 mt c tt c 12 hng tinh th.
Tng t, mt (100) c 6 hng Nh vy h mt (110) c cng
gp i cng ca h mt (100) v tha s lp li.
- Tha s lp li ca cc lp tinh th khc nhau, vi cc h mt khc nhau c cho
trong bng di y:
Khi tt c cc hon v ca cc ch s khng to ra cc mt phng tng ng, M phi c gim i mt na.

NATuan-ITIMS-2007

Tha s lp li Mhkl thng s dng trong phng php bt i vi cc
tinh th c i xng lp phng.
hkl
Mhkl
h00
hhh
hh0
12
hhk
24
hk0
24
hkl
48
NATuan-ITIMS-2007

8) Tha s cu trc v s vng mt h thng ca cc cc i nhiu x
SC (lp phng n
gin)
BCC (lp phng

tm khi)
Tng (h + k + l) chn
Bt k t hp no ca
FCC (lp phng tm

mt)
Tt c h, k, l hoc u l
h, k, l
chn, hoc u l l
100
110
110
111
111
200
200
200
210
211
211
220
220
220
300, 221
10
310
310
11
311
311
12
222
222
222
h2 + k2 + l2
NATuan-ITIMS-2007

9) Tng kt cc yu t gy nn cng nhiu x tng i (tha s cu trc)
a) Cc tc nhn chnh bn cht ca tinh th
1 + cos 2 2
- Tn x bi in t Tha s phn cc: () =
2
- Tn x bi nguyn t Tha s tn x nguyn t: f o = U (r )dr
sin[4r (sin / )]
4r (sin / )
- Tn x bi mng Tha s cu trc: F(hkl) = ( f0,r cosr ) + ( f0,r sinr )

b) Cc tc nhn ph - cc yu t nh hng
B sin 2
- Tha s nhit : T = T 0 exp
2
1
e t d x d y d z
- Tha s hp th: ( hkl ) =
V crystal
- Tha s Lorentz: L() = 1
sin 2
2 1/ 2
1 + cos 2 2
Tha s gc: L ().() =
sin 2
- Tha s lp li : Mhkl (ph thuc vo kiu tinh th v h mt hkl)

- Vi hp th: xut hin i vi mu a pha. H s hp th thng tiu biu cc mu ny c tnh trn c
s cc t l thnh phn pha c trong hn hp a pha. Vi hp th s xut hin khi cc tinh th ln

tng tc u tin vi chm tia gy ra c hp th d thng v cc cng khng i din cho nhng t
l thnh phn cc cc pha ny. hn ch nh hng ca vi hp th, cn gim kch thc cc vi tinh
th trong mu.
- S phn cc n sc: Trn y cho thy chm tia nhiu x cn b phn cuc mt phn bi qu trnh
nhiu x. V tinh th lc n sc c th lm bin i cng nhiu x s hng lin quan n gc
nhiu x ca b lc sc (m) cn phi c a thm vo hiu chnh.
NATuan-ITIMS-2007

2.2.7. CNG TCH PHN
Biu thc chung ca cng tch phn

nh ngha:
Cng b nhiu x bi mt tinh th (hkl) c gi l cng
tch phn (integrated intensity), hay phn x tch phn (integrated
reflection), ngha l cng nhiu x c ly tch phn qua
vng ln cn ca cc i nhiu x.
Khi biu thc chung ca cng tch phn c th biu din nh sau: vi mt
tinh th nh c th tch V quay vi vn tc khng i quanh trc song song vi
mt (hkl) Nng lng phn x tch phn s t l vi V nn c th vit (vi Q l
kh nng phn x khi ring): Q(hkl)V = E(hkl)/I0 (cm2),
trong E(hkl) l nng lng tng cng c nhiu x t mt chm tia c cng
I0.
Nng lng tng cng ca bc x b phn x bi mt h cc mt thu c
trong thi gian quay tinh th chnh l cng tn x bi tinh th c hiu
chnh Lorentz:

E = I c
sin 2
2
Cng tn x bi tinh th: I c = I e ( F (hkl ) N ) V T , trong |F(hkl)| l t l
gia bin hn hp ca sng tn x bi mt c s vi bin ca sng tn x
bi mt in t, N l s n v trong mt n v th tch, V l th tch ca tinh
th, T l tha s nhit .
NATuan-ITIMS-2007

-
Nh trc y thy, cng tn x o khong cch R bi mt in t l:
e 4 1 + cos 2 2
I e = I 0 2 4 2
2
m c R
Nu ly R = 1/ , chnh l cu phn x Ewald, Nng lng tng cng nhn c

vi mt vt nhiu x nm trn chu vi ca cu Ewald s l:
1 + cos 2 2
e4
1
2
(
)
E = I 0 2 4
F
(
hkl
)
N
V
T
m
c
(
1
/
)
2
sin 2
e 4 N 2 3V 1 + cos 2 2
2
F
(
hkl
)
T
= I 0
Tha s gc: L ().()
2 4
2m c sin 2
Biu thc ny c vit vi gi thit khng c s nh hng ca cc lai hp th
thng thng cng nh hp th c bit ln cc chm tia nhiu x v s cp trong
tinh th (gy nn cc hiu ng tt s cp v th cp). V th n ch p dng mt cch
l thuyt cho trng hp l tng vi tinh th v cng nh ( loi tr hp th).
Vit li nng lng tng cng di dng: E e 4 N 2 3V 1 + cos 2 2

2
=
F
(
hkl
)
T
2 4
I 0 2m c sin 2
y l nng lng tng cng tng i gia nng lng c phn x bi h mt
(hkl) vi nng lng ti tnh trn mt n v din tch ca tinh th v trong mt n
v thi gian.
NATuan-ITIMS-2007

-
Biu thc E/I0 trn y chnh l Cng (hay phn x) tch phn, c o
bng cch so snh gia cng phn x t mt h mt phng vi cng
chm tia ti. Tuy nhin vic o cng s cp khng thun tin v mt thc
nghim, v cng khng cn thit, nn ch s dng biu thc tng i cho trng
hp tng qut.
e 4 N 2 3V
l mt hng s i vi mi thc nghim vi tinh th cho trc.
S hng
2 4
2m c
Cng tng i ca tt c cc mt phn x m song song vi trc quay c
dng:
1 + cos 2 2
2
sin 2
F (hkl ) T
e I 0
Nu t K e =
, l mt hng s i vi mt php thc nghim c th,
2
m
c
64
L
e
y I0 l cng chm tia ti, L l khong cch t mu n detector, (e2/mec2)2
2
I hkl
chnh l bnh phng ca bn knh in t c in, re, c th vit cng ca

vt/peak nhiu x t mt pha no trong mu dng ch nht phng t trong
mt nhiu x k c cc khe ly chm tia nhiu x c nh (b qua hp th ca
khng kh) l:
I ( hkl ) =
K e K ( hkl ) v
s
NATuan-ITIMS-2007

y v l phn th tch ca pha , s l h s hp th thng, cn K(hkl) cng l
mt hng s i vi mi phn x hkl t cu trc tinh th ca pha .
K ( hkl )
M
F( hkl )
= hkl
V2
1 + cos 2 2 cos 2 2 m
2
sin cos
hkl
vi Mhkl l tha s nhn s i vi mt phn x hkl ca pha , V l th tch ca c

s ca pha, m l gc nhiu x ca b lc n sc (l n tinh th) (monochromator),
cn F(hkl) l tha s cu trc i vi phn x hkl ca pha , bao gm c cc hiu ng
tn x d thng v nhit .
Lu : tha s trong ngoc n l hn hp ca cc hiu chnh phn cc v Lorentz,
nn gi l hiu chnh Phn cc-Lorentz, (Lp)hkl:
( Lp ) hkl
1 + cos 2 2 cos 2 2 m
=
2
sin cos
hkl
NATuan-ITIMS-2007
Tng kt cng tch phn tng qut:
- Cng tn x tng qut:

+ T hp ca hai thnh phn: tha s cu trc v tha s mng
r
3 sin 2 N s a
I (s )
2
2
2
j j j
= F (s) Z (s) = F (s)
2
Ie (s)
j =1 sin s j a j
Hm giao thoa
Lu y cc cnh aj (j = 1, 2, 3) chnh l cc cnh a, b, c, tng ng:
a1 = a ; a 2 = b ; a 3 = c
+ Biu thc chung ca cng tn x thc nghim tng qut c th vit li di
2
dng:
2
Lorentz
Phn cc
F
(
T
)
Q V = L P g V xtl M
2
mc
Hnh hc Truyn qua Th tch tinh th Nhn s

c chiu x mt ph/x
Tha s cu trc
tinh th T oK
- Biu thc cng tn x ng vi cc phng php thc nghim nhiu x:

Cng tch phn c xt theo cc phng php thc nghim nhiu x khc
nhau s c dng biu thc khc nhau, trong c nhng phng php lm xut
hin cc tha s c bit.
NATuan-ITIMS-2007

- C nhiu phng php thc nghim nhiu x. Tuy nhin c hai phng php
thng c s dng trong k thut nhiu x tia X:
Cng tch phn trong phng php bt:

re = (e2/mec2) chnh l
bn knh in t c in.
re2 = 7.94 x 10-30 m2.
J hkl
Th tch vng c chiu bc x.
V
3
= I0
64 2 R 3 Vc2 sin sin 2
re2
Bn knh ca bung chp

Debye-Scherrer (khong
cch t tinh th n im
ghi vt nhiu x).
1 + cos 2 2
2
M hkl F (hkl )
2
Lorentz
Phn cc Tha Cu trc

s lp
Th tch c s.
Cng tch phn trong phng php quay tinh th:
Phkl
Ehkl re2 V
3
=
= 2 2
I0
R0 Vc 2 sin 2
1 + cos 2 2
2
M hkl F (hkl )
2
NATuan-ITIMS-2007
B rng ca cc i nhiu x v kch thc ca nt mng nghch

3 sin 2 N s a
I (s)
2
j j j
= F (s) G ; G =
Hm giao thoa:
2
Ie (s)
j =1 sin s j a j
- Xt hm giao thoa G ln cn cc i nhiu x g, ngha l xt n cc im ln

cn vi mt khong rt nh j no , c vect mng nghch l g'.
r* r*
r* r
r*
r = g = ha + kb + lc
r
r
r
r
r
r * ' = g' = (h + 1 )a * + (k + 2 )b * + (l + 3 )c *
- Cc i chnh ca hm G c cng l Nj2 ngay ti im gia ca nt mng

nghch. Ngoi ra G cn c nhng cc i ph khc c cng bng 4Nj2/(2n+1)22
(n l nhng s nguyn) ti cc im ln cn nt mng nghch c gi tr j = 1/Nj, 2/Nj,
3/Nj,.... (Nj l s nt theo chiu j).
- T s gia cc i chnh v cc cc i ph
l 4/(2n+1)22 khi n =1, 2, 3,... t s
ny tng ng bng 4,5%; 1,62%; 0,82%; ...
Ngha l cc cc i ph rt nh so vi
cc i chnh.
1/Nj
2/Nj
3
Nj
2
Nj
1
Nj
1
Nj
2
Nj
3
Nj

Kch thc mu mng lm cho cc nt mng nghch b ko di ra theo hng mng
nghch tng ng vi chiu b lm mng trong khng gian thc ca mu tinh th:
Chiu lm
mng mu
tinh th.
Nu c cc mt phn x (001)
th cc nt mng nghich s b ko di ra
Mng khng gian thc

Mng khng gian nghch
theo hng [001]* trong mng nghch.

Chiu ko di ca
nt mng nghch.
NATuan-ITIMS-2007

Theo 3 chiu khng gian nghch, hm giao thoa c cc i vi b rng ckch thc
l a*/N1, b*/N2, c*/N3. Tinh th thc c kch thc l N1a, N2b, N3c.
Nt mng nghch c kch thc tng ng l a*/N1, b*/N2, c*/N3.
K/t tinh th
k/t nt mng nghch
K/t tinh th
k/t nt mng nghch
NATuan-ITIMS-2007

S BO TON NNG LNG
C th chng minh rng cng tn x khi c ly tch phn qua ton b cc gi
tr k l khng i i vi mt khi lng cho trc, khng ph thuc vo trng thi kt
t ca n.
- Hy nh li cng tch phn tng i c biu din qua hm t tng
quan P(u), i vi mt h bt k, ta c:
r
r ikr .ur
I (k )
= P(u)e dvur
I I (k )
- y vi cu trc ca h c hm cha trong hm t tng quan P(u). Ly

tch phn cng
r tng i trn qua ton b khng gian k, ta c:
r r
r ikr .ur
r
I (k ) r
ik . u
r
r
r
I I (k ) dvk = P(u)e dvu dvk = e dvk P(u)dvur
- Hy nh li nhng lp lun trc y i n biu thc (31), chng t

tch phn ca hm exp c tnh cht ca hm Dirac . Do y ta c:
r r
ik . u
r r
0 ( r r ' )
r
r
dv k = ( u ) =
r r
r
(
= r ')
r r r
(Note : u = r ' - r )
NATuan-ITIMS-2007

- V vy:
r
r
r
I (k ) r
2
r = P ( 0) = V
dv
=
(
u
)
P
(
u
)
dv
u
e
I I (k ) k
y V l th tch ca vt liu b bc x, e l mt trung bnh ca in t.

- Biu thc trn y cho thy v phi l mt hng s. Do gi tr ca tch phn
phi khng ph thuc vo cu trc. Ni khc i, biu thc trn y th hin
tnh cht bo ton nng lng ca h.
NATuan-ITIMS-2007

2.2.8. O CNG TCH PHN
(T nghin cu v phn ni dung ny)
NATuan-ITIMS-2007

2.2.9. XC NH V TR NGUYN T & Vn xc nh lch pha v du
ca tha s cu trc
NATuan-ITIMS-2007

2.2.10. XC NG CU TRC TINH TH
Nh li:
E e 4 N 2 3V
=
- Phng trnh phn x tch phn:
I 0 2m 2 c 4
1 + cos 2 2
2
F (hkl ) T
sin 2
c cha tha s |F(hkl)| biu din cc v tr ca cc nguyn t trong c s:
F ( hkl ) =
{[ f
] [ f
2
+
0 , r cos 2 ( hx r + ky r + lz r )
0 , r sin 2 ( hx r + ky r + lz r )
]}
2
Phng trnh ny cho php tnh c nhng cng phn x khi bit cu trc tinh
th. Cng o c, sau khi hiu chnh hp th v s dp tt, v cc tha s c
bit ch xut hin t phng php c th dng ghi phn x, c th thc hin tnh
ton cu trc tinh th.
NATuan-ITIMS-2007

2.2.11. L THUYT NG LC HC NHIU X
-
Cc vn v cng nhiu x trn y c xt vi tinh th thc v c bit

b qua tng tc ca sng tn x v sng ti, v kch thc cc n tinh th
khng ln. V th xut hin rt nhiu cc hiu chnh (cc tha s tn x). l
cng nhiu x c xt trn c s ca l thuyt ng hc, bi ton
c xt nhng kha cnh c tnh cht hin tng lun hay c tnh kinh nghim.
Trong trng hp cc n tinh th hon ho, c kch thc ln, cc cng

nhiu x o c v tnh ton theo thuyt ng hc khng ph hp vi cc s liu
thc nghim, v khi cc tng tc gia bc x ti vi bc x tn x, hay cc
tng tc vi trng tinh th, c nh hng khng nh ti cng tn x.
Thuyt ng lc hc nhiu x kho st trng sng trong trng th tun hon ca

mng tinh th v k n tt c cc hin tng tn x nhiu ln. Khng nh thuyt
ng hc nhiu x, ch m t gn ng v tr ca cc cc i nhiu x
Bragg hay Laue trong khng gian nghch, thuyt ng lc hc tnh c n hin
tng khc x, hnh dng v kch thc ca cc vt nhiu x, cc hin tng dp
tt v giao thoa. Kt qu l c s tn sc ca sng tn x bi b mt tinh th.
Thuyt ng lc hc (dynamical theory of diffracton) v cng nhiu x l xt
n bi ton tn x khi a vo cc tng tc hay cc hin tng k trn.
NATuan-ITIMS-2007

2.2.12. CNG TN X TIA X CHT RN V NH HNH
NATuan-ITIMS-2007
2.1. C s ca nhiu x
NATuan-ITIMS-2007

2.3.1. M U
2.3.2. L THUYT CA NHIU X IN T
..) Tn x in t bi in t
1) Tn x in t bi nguyn t
2) Tn x in t bi mng tinh th
3) L thuyt n gin ca s lan truyn sng in t trong tinh th
4) L thuyt hnh thc lun ca tn x n hi trong tinh th hon ho
2.3.3. THC NGHIM NHIU X IN T
1) LEED (Low-Energy Electron Diffraction)
2) HEED (High-Energy Electron Diffraction)
3) TED (Transmission Electron Diffraction)
4) CBED (Convergent Beam Electron Diffraction)
5) EBSD (Electron Backscatter Diffraction)
NATuan-ITIMS-2007

2.3.1. M U
-
1924, de Broglie a ra gi thuyt v tnh cht sng ca cc ht vt cht. Nm 1925 ln

u tin Davisson & Germer lm thc nghim nhiu x in t (ED) trn tinh th Ni, v nm
1927, G.P. Thomson (con ca J.J. Thomson) thc hin nhiu x e trn cc l KL Au v Al.
chng t tnh cht sng ca cc vi ht (da trn gi thuyt ny ngi ta xy dng l
thuyt c hc sng ca cu trc nguyn t, phn t).
Louis Victor de Broglie

(1892-1987)
Nobel Prize in Physics in 1929
Clinton Joseph Davisson (left;

1881-1958) and Lester Halbert
Germer (right; 1896-1971) in 1927
Nobel Prize in Physics in 1937
George Paget Thomson

(1892-1975)
Nobel Prize in Physics
in 1937
Cng chia gii

NATuan-ITIMS-2007

Davisson-Germer Experiment 1925
Davisson, C. J., "Are Electrons Waves?"

Franklin Institute Journal 205, 597 (1928)
n
1
=
= 0.815 U (volts)
(nm) 2d sin
NATuan-ITIMS-2007

Thomson Experiments
J.J. Thomson (gii Nobel nm 1906
v chng minh tia cathode l ht e-)
Thc nghim nhiu x in t ca G.P. Thomson

(1927) trn cc l kim loi mng (Au & Al).
ng tia cathode ca J.J. Thomson
(a)
(b)
nh nhiu x in t (ED) t mt l kim loi Au a
tinh th mng (a) v n tinh th Al (b).
NATuan-ITIMS-2007

- Bc sng de Broglie ca in t c gia tc di in th U l:
o
h
h
12.3
1.23
= =
=
( )
(nm)
=
hoc:
p mv
U (volts)
U ( volts)
Bc sng
c hiu chnh
tng i tnh
h = hng s Planck (6.624 X 10-27 erg/s)

m = khi lng ca in t (9.11 X 10-28 gram = 1/1837 of a proton)
v = vn tc ca in t
vi U ~ 40 - 60 kV ~ 0.05 .
- V d: Mt chm tia in t nng lng 100 keV c = 0.0389 , phn gii c
kch thc n 0.0195 .
- S khc nhau gia ED v XRD
1. Thit din tn x in t ca nguyn t kh ln i vi c tn x n hi v
khng n hi lm cho tng tc vi vt cht mnh hn nhiu so vi tia X.
t xuyn thu hn nhiu so vi tia X rt d b hp th mnh trong khng kh.
Cc thao tc thc nghim nhiu x i vi ED, t vic to ra chm tia in t
(tia-), b tr mu n ghi gin nhiu x, u c thc hin trong bung
chn khng cao.
NATuan-ITIMS-2007

S xuyn thu t v tng tc mnh ca vi nguyn t v in t trong CR
k thut ED tr thnh gn nh l duy nht nghin cu cc hin tng lin quan
n mt lng t cc nguyn t, nh tn x trn cc cu trc b mt v tn x vi
cc cht kh. c bit ED thch hp nghin cu cc mng mng v cc b mt
tinh th rn. Tuy nhin y thng phi gii quyt nhng vn ln lin quan n
hiu ng hp th v cc hiu ng b mt.
i vi gin nhiu x tia- truyn qua, mu phi rt mng, nh dng mng
mng hay l mng. i vi mu dy, gin nhiu x phn x tia- c ghi bng
k thut gc st (glancing-angle). Gin nhiu x c to ch bi mt lp
mng b mt mu, ch t vi chc n vi trm angstrom.
Nhiu x in t tn x ngc (BSED) cng
cung cp thng tin v tinh th hc ca mu.
2- Cng tn x ln hn so vi tia X
n mc ngay c mt lp rt mng cng
cho vt/vch nhiu x mnh ch trong mt
thi gian rt ngn.
Chm tia-e
Mu
Mn hunh quang
& cc vnh nhiu x
K thut gc st
3- Cng tn x gim nhanh hn nhiu so

vi trng hp nhiu x tia X khi gc 2 tng.
Cng vi rt ngn lm cho gin ED b hn ch trong vng gc ~ 40 (2).
NATuan-ITIMS-2007

- V mt thc nghim, ED tng pht trin qua 3 giai on:
+ Giai on u: trc khi sng ch ra TEM, cc "bung nhiu x in t" (electron
diffraction cameras) c t lm "bng tay" (homemade).
giai on ny, nhiu nghin cu cu trc ca cc l kim loi, cc lp m
in ha, cc mng mng ch to bng k thut bc bay trong chn khng, cc
mng xt trn b mt kim loi v cc lp b mt c nh bng.
Electron Diffraction Tube - Welch

Scientific Co. Cat. No. 2639
NATuan-ITIMS-2007

+ Giai on th hai: K thut ED c t hp v cng c thc hin trn cc my
TEM. iu ny cho php tng cng tnh nng nghin cu cu trc ca cc ht tinh
th, hoc cc vng tinh th c kch thc rt nh v c la chn.
+ Giai on th ba: pht trin cc k thut nhiu x in t nng lng thp (LEED),
cn gi l nhiu x in t chm, s dng cc thit b nhiu x c bit vi
in p lm vic ch c 100V. Vi nng lng thp nh vy, c th thm su ch
vo mt n lp nguyn t, hoc c nh vy, b mt mu. Thng tin thu nhn
c t gin LEED cho bit cch sp xp cc nguyn t b mt, m cch sp
xp ny thng hon ton khc vi cch sp xp su bn trong mu.
giai on sau ny, nhiu k thut khc na cng c pht trin, nh
nhiu x in t tn x ngc (BSED), l s t hp ED vi SEM, nhiu x in t
chm tia nng lng cao phn x (RHEED), nhiu x in t chm tia nng lng
cao truyn qua (RHEED), cn gi l nhiu x in t nhanh, hay k thut nhiu x
in t bng chm phn k (CBED),...
NATuan-ITIMS-2007

2.3.2. L THUYT CA NHIU X IN T (ED)
1) Tn x in t bi nguyn t
- Khc vi tn x tia X ch, sng bc x ca in t phi tha mn phng trnh
Schrdinger:
4 8 2 m
+ 2 2 V = 0
h
trong V l th tng tc gia sng in t c bc sng vi ton b in tch

phn b ca nguyn t.
- Vi sng in t l sng phng n dc theo trc x, ti mt nguyn t c lp r = 0,
nghim c nghi i vi phng trnh trn phi c dng tim cn gi tr r ln:
2ix 1 2i r r
= exp
+ exp
S r f ( )
r
M t sng
phng khng
b tn x
M t sng b tn x
gc vi bin f()
tng quan vi bin
ca sng ti.
Vect tn x
S = (s - so)/ = r*
S= S = 2sin()
r*= G= ha* + kb* + lc*
= 2
NATuan-ITIMS-2007

-
Lu : Bin tn x in t f() bi nguyn t trn y, nh bit t l thuyt

tng qut v nhiu x, chnh l tha s tn x nguyn t ca in t m ta k
hiu l f e(s), hoc f e(k), khi nh li rng k = s/.
Cc in t mang in tch m v rt nhy vi in trng nh x trong nguyn

t. V th, tng t nh trng hp tn x tia X bi nguyn t, ta c th vit:
r
r ikrrr
f (k ) = B V (r )e dvrr '
e
y B l mt hng s, th V(r) l th tng tc Coulomb gia ti c in tch
-e vi mt nguyn t c in tch ht nhn l +Ze v mt in tch phn b ca

nguyn t v tr r so vi tm nguyn t ly lm gc ta . Tch phn c ly
trong th tch nguyn t.
-
Gi thit mt in tch ca nguyn t c dng phn b cu. Xt nh hng ca

phn t th tch v cng nh dvr' v tr r' c mt in tch a phng tng
sau).
cng l c(r') (k c in tch ht nhn) ln in t r (hnh slide
r
(r ' )
Th nng tc ng ti ch mt phn t th tch ny chnh l: rc r dvrr ' .
r r'
NATuan-ITIMS-2007

dvr'
r'
+Z
r
Vy th th nng do tt c cc phn t th tch

nh vy trong m my in t bao quanh ht
r
nhn nguyn t, s l:
r
(r ' )
V (r ) = rc r dvrr '
r r'
atom
t tha s tn x nguyn t ca in t
c dng:
r r r
r rr
i k ( r - r ' )
r ikr rr'
c ( r ' ) ik r r r
e
e
f ( k ) = B r r e dvr dvr ' = B r r dvrr c ( r ' )e dvrr '
r r'
r r '
atom
1
44244
3
1 /( k 2 )
r ikr rr'
B
f ( k ) = 2 c ( r ' )e dvrr '
k
e
- Mt khc, mt in tch r' trong nguyn t c th biu din di dng:
c (r ' ) = eZ (r ' ) e e (r ' )

trong s hng u biu din in tch ca ht nhn r' = 0, ngha l mt in
tch ht nhn ch tp trung ti tm ht nhn, l gc ca nguyn t, s hng th hai
biu dn mt in t ti r' trong nguyn t c mt a phng l e(r') .
NATuan-ITIMS-2007

- Lu rng c(r') l mt in tch tng cng trong nguyn t, bao gm c ht nhn
cn e(r') l mt in t ca m my in t trong nguyn t. Khi th tng cng
V(r) trn y c th biu din di dng tch ring hai thnh phn nh sau:
(r ' )
Ze 2
V (r ) =
+ e 2 re r dvrr'
r
r r'
atom
- S dng biu din ca c(r') trn y thay vo biu thc fe(k) trn rt ra c:
rr
rr
rr
r
r
r
Be
Be
Be 1
X
f e (k ) = 2 Z (r ' )e ik r' dvrr ' e (r ' )e ik r' dvrr ' = 2 Z c (r ' )e ik r' dvrr ' =
Z
f
(k )
2
k
k
k
1442443
X
f (k )
trong fx(k) chnh l tha s tn x nguyn t i vi tia X.

- C th s dng th tng cng V(r) trn gii phng trnh Schrdinger, t rt
ra c dng tha s tn x nguyn t ca in t c dng nh sau:
e2
1
[Z f x ( / 2)]
f ( ) =
2
2
2mv sin ( / 2)
e
B = /2mv2
- Khi nh li rng vect tn x S = (s - so)/ = r* = ha* + kb* + lc*, S= S = 2sin(),

trong = 2, v khi chuyn S sang k = 2s, vi k = 2sin/, ta c th vit li tha
s tn x nguyn t nh sau:
NATuan-ITIMS-2007

e2
1
sin
X sin
f
Z
f
=
2
2
2mv sin ( )

e
Nh vy 1/k2 s l ng gp chnh cho s ph thuc k, hay 1/sin2 l ng gp

chnh cho s ph thuc ca bin sng in t tn x bi nguyn t. Hm f e(k)
gim n iu theo k.
- Tha s tn x nguyn t ca in t thu c trn y l kt qu ca php gn
ng Born th nht [trong chui trin khai Born ca hm sng tn x, ch ly s hng
bc nht c dng exp(ikr)]. i vi cc gn ng bc cao hn cho thy khng lm
thay i ln ca bin f e(k), nhng n cho thy s dch pha t l vi s nguyn
t Z v gn nh t l thun vi vect tn x S.
- Hy nh li kt qu thu c trc y i vi tha s tn x tia X bi mt
nguyn t n nh
r sau:
2i r r
S r
r
S
sin[4r(sin / )]
X
X sin
2
f = e (r ) e
dvrr f
dr
= 4r e (r)
(
)
r
sin
0
atom
- Trong trng hp in t b tn x bi mt m nguyn t - phn t Bin
tn x phn t ca in t c dng l tng cc bin tn x nguyn t c ly
n
n
trung bnh (xp x) pha do sai khc v v tr ng.t:
sin [2Srij / ]
2
M c = f (e) f (e)
2Srij /
i
j
trong f(e)i(j) chnh l f e(k) trn ng vi nguyn t i hay j cch nhau mt khong rij.
i
NATuan-ITIMS-2007

- Trong trng hp i = j, fi 2 l cng tn x nguyn t kt hp. Nhng s hng
nh vy ch ng gp vo lm gim n iu phng tn x nn.
Nhng thng tin v cu trc phn t o c t tn x ca in t l do ng gp
ca cc s hng hn hp vi i j.
- C 2 hiu ng nh hng chnh n cng tn x tng cng ca in t:
+ Tn x khng n hi, nng lng ca in t thay i trong sut qu trnh
tn x. y l tn x hon ton khng kt hp, xut hin di dng bc x
khuch tn ca phng (nn). So vi tia X, thit din tn x ny ca in t gp
~ 108 ln thit din tn x ca tia X.
+ Hiu ng dao ng nhit lm gim bt tn x nguyn t kt hp: tng t
nh trong trng hp nhiu x tia X, bin dao ng ring bit cho mi cp
nguyn t c a vo. Tn x tng cng, bao gm c tn x khng n hi
I(Zi,S):
Mc = fi
2
Bi S 2
(e) 2
2 2
+ fi
(e)
(e)
fj e
Bij S 2
2
sin 2Srij /
2Srij /
]+
I (Z , S )
i
trong Bi v Bij t l vi bin cn bc hai ca dao ng nhit ca nguyn t

th i v cp nguyn t i-j.
NATuan-ITIMS-2007

2) Tn x in t bi mng tinh th
- Nh trn y thy hm sng m t s lan truyn ca sng in t trong khng
gian t do c dng sng phng exp[2isr] trong vect sng s m t hng ca
chuyn ng (hng ti) v c bin s= s = 1/ = (2moeUo)1/2/h, y Uo l th
gia tc in t.
- Khi sng in t p ln tinh th, s tn x n hi (phn x Bragg) xy ra vi bin
sng c dng exp[2is'r] xut hin theo phng s' (nhng v ln, s' = s) cha
tha s giao thoa A m c tnh n cc hiu qung ng lin quan n s tn x
bi cc nguyn t khc nhau, v tha s tn x nguyn t fj ca nguyn t th j:
r r r
2
s
i
(
s ' )raj
(e)
A= fj e
r
raj
- Hng tn x s' to vi hng ti s mt gc = 2 no v ph thuc ch vo

ln ca vect tn x S = s' - s: S = s' - s= 2sin/.
- Trong mt tinh th hon ho, v tr ca nguyn t-j trong c s th-n c xc nh
bng vect raj = rn + Rj (rn = n1a + n2b + n3c).
Do :
NATuan-ITIMS-2007

A= f
j
r r
( e ) 2iS R j
j
r r
2iS rn
= F (S ) e
r r
2iS rn
- y ta thy, tng t nh trng hp nhiu x tia X bi mng tinh th, tha

s F(S) chnh l tha s cu trc, ca bin tn x ca in t bi mng tinh th.
- Hnh vi ca s hng giao thoa ph thuc vo vect tn x S = s' - s, mt vect trong
khng gian mng nghch.
- Gi vect mng nghch c s l G = ha* + kb* + lc*, vi h,k,l l nhng s nguyn,
v chnh l cc ch s Miller ca mt phn x Bragg tng ng vung gc vi G, v
nh tng thy, Grn = s nguyn i vi bt k vect c s rn no.
Tt c cc sng tn x bi cc c s khc nhau u c cng pha, do c bin
cc i nhiu x vi bin A khi v ch khi: S = s' - s = G. iu tng ng
vi iu kin Bragg nu trn: = 2dsin.
- Khi iu kin Bragg khng hon ton chnh xc, ngha l ch lch khi iu kin chnh
xc mt lng nh c biu din bng vect nh no trong khng gian mng
nghch S = s' - s = G + . Vect biu th lch khi iu kin phn x Bragg.
NATuan-ITIMS-2007

2
s
s'
Cu Ewald
-G
- Cng nhiu x A2 t mt tinh th hon ho c chiu dy t theo chiu z (l

chiu ca chm tia ti) v cc chiu ngang c kch thc Lx v Ly thu c bng
cch thay S = s' - s = G + vo biu thc ca A trn, ta c:
2
A =
V c2
2
sin 2 ( t z ) sin 2 ( L x x ) sin ( L y y )
( z )2
( x )2
( )
Hm giao thoa
Nh vyA2 s rt nh tr phi tz, Lxx, v Lyy c ln rt nh. Nhng v Lx

v Ly ln hn nhiu so vi t nn ta coi nh b qua x v y so vi z.
n gin, ta t z = .
NATuan-ITIMS-2007

- Lu :
+ Trong trng hp ca ED, cc gi tr l nh, dn n cc gc Bragg rt
nh: /2d 0.01 rad, v cu Ewald rt ln (v nh, bn knh cu l 1/).
+ Bin tn x nguyn t f (e) suy gim rt nhanh khi sin/ tng (ng vi nhng
gc cao). V vy cc nt mng nghch quan trng xut hin phn x Bragg,
trong trng hp cho trc, s nm trn mt mt phng ca mng nghch i qua
gc v gn nh nm vung gc vi hng chm tia ti. Kh nng nhn ra v
xc nh ch s cc vt nhiu x trong cc gin nhiu x dng li an cho
nhau (cross grating diffraction patterns) l mt cch s b nhng quan trng trong
vic gii thch cc vi nh in t ca tinh th.
+ Biu thcA2 trn y cho thy mt gin nhiu x dng li an cho nhau
cho trc s c quan st thy qua mt khong no (~ 5o) ca gc ti (gi tr
ca , v do cng , m khng phi v tr, ca mi vt nhiu x c th thay
i).
+ Trong trng hp cc tinh th dy hn, cc gin nhiu x quan st thy c cc
ng c gi l ng Kikuchi xut hin do tn x khng n hi v khi tinh
th b nghing i cc ng ny dch chuyn nh th b gn cng vi n.
NATuan-ITIMS-2007

- Tr li vi cc biu thc v bin tn x A cp trn cho trng hp tinh th
hon ho. nh hng ca vic tinh th khng hon ho c c trng bng s
thay i trong tha s cu trc F (VD nh do cc nguyn t tp), hoc do bin dng
n hi lm x dch n v ra khi v tr tinh th hon ho rn thnh rn + R(rn).
Trong trng hp ny, t A = F (S )
r r
2iS rn
v S = G + , ta c:
A = Fe
r r
2i (z +G R )
y s dng Grn = s nguyn v rn = z, v b qua s hng R v l rt

nh: << G v R << rn.
Nh vy s c mt ca sai hng lm xut hin s thay i trong gin nhiu x v
iu c s dng cung cp thng tin v bn cht ca hm dch chuyn R.
- C th thy rng, nu hng ca R nm trong mt mt phng, s c nhng phn x
Bragg (t cc mt phng nguyn t song song vi hng ) m khng b nh
hng ca s khng hon ho, th GR = 0.
NATuan-ITIMS-2007

3) L thuyt n gin ca s lan truyn sng in t trong tinh th
- Ngun gc ca cc hiu ng nhiu x c m t trn y c coi nh l
s lan truyn in t trong trng th tinh th c tnh tun hon:
V(r + rn) = V(r)
m bo tnh cht , th V(r) c dng chui Fourier:

r r
r
2iG r
V (r ) = VG e
G
trong VG l hng s ph thuc vo dng ca th trong trng hp c th, v c

tnh cht VG = V-G* v V(r) l s thc.
- Th V(r) lm cho vect sng in t s thay i thnh sl:
1
1
{2m0e(E0 + V )} 2
h
1 V
m eV
= s + 02
s1 +
h s
2 E0
sl =
NATuan-ITIMS-2007

- Khi mt sng phng oexp[2isr] chiu ln mt phin tinh th mng dz, mt s dch
pha s xut hin thm trong phin tinh th sao cho sng l ra pha sau c dng:
r dz
r r 2im0 eV ( r ) 2 s
2is r
h
dch pha
r dz
e
0e
0e
1 + 2im0 eV (r ) h 2 s
rr
rr
2
i
G
r
dz
2is r
0e
1 + 2im0 e h 2 s VG e
rr
2is r
thnh phn sng truyn qua
thnh phn sng nhiu x
- Sng nhiu x ra khi phin tinh th vi vect sng s' v bin dG :
d G e
r r
2 i s ' r
dz
= 2im 0 e 2 s 0VG e
h
r r r
2i ( s +G )r
- Nh quy c t trc l phin tinh th mng theo chiu z v cng l phng

phng trnh ng hc
ca chm tia ti. Khi ta c:
2isz
i
d G =
0e
dz
nhiu x cho cc tinh th

hon ho.
trong G c th nguyn chiu di, gi l chiu di tt (extinction distance), c

xc nh l: G = h2/2moesVG. Gi tr in hnh ca G ~ 10 - 100 nm.
NATuan-ITIMS-2007

- Ly tch phn phng trnh ng hc nhiu x theo ton b chiu dy t ca phin tinh
th, ta c:
i ist sin( st )
e
G (t ) =
G
s
v cng nhiu x:
2 sin 2 (st )
G (t ) = 2
G (s ) 2
2
Tha s giao thoa
Phn tch cng nhiu x:

+ Nu tinh th c chiu dy l t, cc vn chiu dy (thickness fringes) s c
quan st thy vi khong cch t = 1/s.
+ Khi t khng i, s bin thin do s un cong a phng ca tinh th, cc ng
vin dp tt (extinction contours), hay cc ng vin cong (bend contours) s
xut hin theo qu tch cc im m tinh th v tr phn x Bragg.
+ Cc ng contour i xng theo s, v c tm sng cc i nhng bn cnh
c cc i ph vi cng b suy gim i mt lng khng i l s = 1/t.
(Cc ng contour ny thc t c quan st thy nhng tinh th rt mng).
+ Khi ch c mt phn x Bragg l quan trng, cng trong nh trng sng l
b vi cng trong nh trng ti, ngha l: |o|2 = 1 - |G|2.
NATuan-ITIMS-2007

- Khi tinh th khng hon ho, nhng dch chuyn R do sai hng lm cho trng th
im r trong tinh th khng hon ho s tng t nh im r R(r) trong tinh th
hon ho:
r r
r r
r
2iG r 2iG R
V (r ) = VG e
e
i
0e
G
r r
2i ( sz +G R )
i
G = 0 e
G 0
r r
2i ( sz +G R )
d G =
v cng nhiu x:
dz
dz
2
2
2
2 sin t s + 1 / G
G (t ) = 2
G s 2 + 1 / 2 2
G
2
)
Tha s giao thoa
Chiu di tt
- Cng thc cng thu c trn y l kt qu ca vic p dng l thuyt ng
lc hc hai chm tia (two-beam dinamical theory), gi thit rng c hai
bin sng ti o v sng nhiu x G u thay i theo chiu dy z trong tinh
th, v s thay i ca o l do sng nhiu x G tnh n tng tc gia hai
chm tia ti v tn x.
NATuan-ITIMS-2007

- Php gn ng ct (column approximation).
* T bin tng qut trnh by khi c s chuyn R(r):
A = Fe
r r
2i (z +G R )
|o|2 + |G|2 = constant

- L thuyt ng lc hc n-chm tia
G2G/s >> 1
- Php gn ng cch t pha (phase grating approximation).
t
r r
2
im
e
0
s
( x, y, t ) = 0 exp(2is r ) exp
V ( x , y , z ) dz
2
h
0
G2t/2s << 1
NATuan-ITIMS-2007

4) L thuyt hnh thc lun ca tn x n hi trong tinh th hon ho
- Phng trnh Schrdinger:
r 8 2 me
r
r
[
]
(r ) +
E
+
V
(
r
)
(
r
)=0
h2
2
trong E v m l nng lng v khi lng in t trong trng th ca trng tinh

th hon ho. Cc in t c tnh tng i, nn c quan h vi nng lng c
gia tc bi th E0 v khi lng tnh m0 ca in t:
m=
- Bin ca vect sng:
m0
v2
1 2
c
eE 0
= m 0 1 +
2
m0 c
r
s = s = 1 = 2 m 0 eE 0
eE 0
2m0 c 2
; E = E0
eE 0
1+
m0 c 2
eE 0
1+
2 m0 c 2
1+
Thnh phn pha
Thnh phn bin
2
r r
r r
r
h
2iG r
2iG r
=
U Gr e
VGr e
- Hm th c biu din di dng chui Fourier: V (r ) =
r
r
2me G
G
vi UG l hng s, c lin quan ti tha s tn x in t fj ca nguyn t th-j trong
c s ( iu kin sin/ = G/2):

Tha s nhit DebyeWaller: UG gim nh theo T
m eM G
UG =
m0 Vc
UG tng theo E v m/m0
f
j =1
(sin / )e
r r
2iG j
Tm nghim ca
phng trnh
Schrdinger
NATuan-ITIMS-2007

- Nghim ca phng trnh Schrdinger c tm di dng t hp tuyn tnh ca
cc sng phng kiu nh cc phn x Bragg:
r r r
r
r
2i ( k + G )r
( r ) = b( r ) =
CGr e
r
G
Thnh phn pha
Thnh phn bin
Hm ny c dng ca hm Block ca sng phng dng exp[2ikr] c nhn vi

mt hm tun hon.
V vy c th i n h phng trnh ca cc bin sng tn x CG nh sau:
)]
r r2
K k + G CGr +
UGr 'CGr Gr ' = 0
r
2
G'0
trong K2 = s2 + U0 l hng s, ph thuc ch yu vo nng lng ca in t.

Gii h phng trnh trn y thu c bin tn x in t bi mng tinh th.
- H phng trnh trn gm c N phng trnh, vi N ty thuc vo s nt mng nghch
hoc s chm tia c kho st, thit lp ln cc phng trnh c s ca l thuyt
ng lc hc.
- Nu s dng php gn ng 2-chm tia, ch kho st bin sng C0 v CG.
(K2 k2)C0 + U-GCG = 0 ; UGC0 + [K2 (k + G)2]CG = 0

NATuan-ITIMS-2007

- c nghim khng tm thng, ta phi c:
r2
2
r2 2
r r 2
K k
U G
2
2
r
r
k
k
G
=
K
(
+
)
U
=0
G
UG
K 2 (k + G ) 2
)(
NATuan-ITIMS-2007

2.3.3. THC NGHIM NHIU X IN T
M U:
thc hin php ED, chm tia c to ra t h sng in t, sau khi hi t

(bng trng tnh in hay tnh t), c chiu ln mu tinh th. Cc tia nhiu x,
to thnh gin nhiu x , c ghi nhn bng: phim nh, mn hunh quang,
camera CCD.
Nh vy, ni chung thit b ED ch gm c 3 b phn chnh:
Ngun (sng) - h thng thu knh chm tia - detector/mn hin th.
Ngun in t
H thng thu knh (t hoc tnh in)
NATuan-ITIMS-2007

CC LOI NHIU X IN T:
Ty theo nng lng ca chm tia , E = eV, c cc loi nhiu x ED tng ng
nh sau:
+ Nhiu x in t nng lng thp, LEED: 5 - 500 eV;
~ 5 - 0.5 .
+ Nhiu x in t nng lng trung bnh, MEED: 0.5-5 keV; ~ 0.5 - 0.2 .
+ Nhiu x in t nng lng cao, RHEED: 5 - 500 keV.
~ 0.2 - 0.02 .
Cc in t c nng lng khi

tng tc vi nguyn t s b
tn x (n hi hoc khng
n hi), hay tn x ngc.
NATuan-ITIMS-2007

- in t c in tch, c khi lng rt nh, thm su vo CR b hn ch:
LEED, MEED v RHEED l cc k thut ch yu dng cho phn tch b mt.
Lu : trong ED, s tn x nhiu ln rt quan trng, khng th b qua.
- K thut nhiu x in t truyn qua (transmission electron diffraction, TED),
thng c thc hin kt hp trong knh hin vi in t truyn qua (TEM), ch gii
hn s dng i vi mu c chiu dy nh hn 1 mm.
- Trong k thut TED, khi chiu chm tia c k thnh hnh nn v chiu ln mu
tinh th mng thc hin ED ng thi di cc gc ti khc nhau k thut
CBED (Convergent Beam Electron Diffraction) bc l i xng tinh th 3 chiu.
- Ngoi ra cn c k thut nhiu x in t tn x ngc (EBSD), thng kt hp
vi knh hin vi in t truyn qua (SEM).
- ED cng l mt k thut rt hu ch trong vic nghin cu trc trt t gn ca CR
VH v cu trc hnh hc ca cc phn t t do ca cc cht kh.
NATuan-ITIMS-2007

- LEED ch yu c s dng nghin cu cu trc ca cc b mt n tinh th
v cc qu trnh trn cc b mt c lin quan n tnh tun hon ngang ca
nhng b mt (cu trc mng tun hon theo 2 chiu b mt).
- Cng cc vt nhiu x c o nh l hm ca nng lng ca chm tia ti,
thu c ng c trng LEED I-V, hay I(V) [hoc I(E)] Cung cp thng tin
v v tr nguyn t trong lp b mt tinh th.
- Phn tch chi tit phn b cng ca mt vt nhiu x n cung cp thng tin v
sai hng trn b mt, nh mt bc, kch thc cc o.
- T hp k thut LEED vi ph k in t Auger (Auger electron spectroscopy, AES)
v vi cc php o cng thot b mt mu, l mt cng c cc k mnh nghin
cu qu trnh hp th nguyn t trn b mt CR.
- Kt hp LEED vi cc k thut ph tr khc nh ph k tn x ion (ion scattering
spectroscopy, ISS), ph k tn hao nng lng in t (electron energy loss
spectroscopy, EELS), hay ph quang in t (photoelectron spectroscopy, PES) lm
tng kh nng l gii cc kt qu ca LEED.
NATuan-ITIMS-2007

1) LEED (Low-energy electron diffraction)
- Trong k thut LEED (c thc hin ln u tin bi Davisson & Germer vo nm
1927), mt chm tia n sc, gn nh song song c kch thc (ng knh) ~
0.1 - 1.0 mm, p ln b mt mu n tinh th theo hng vung gc. Cc tia
in t tn x ngc n hi, c hng xuyn tm, c tch/lc ra khi cc in
t khc bng b phn tch nng lng trng hm, l h thng 4 in cc li v
chiu ln mn hin th dng bn cu, m tm l ni t mu.
- Li 1 ni t, cng th
S cu to ca h nhiu x LEED bn
in cc li (Theo M.A. Van Hove, 1986)
0V vi mu, to ra vng
khng c th gia mu v
U0 ~ 6 kV
li 1 hn ch ti thiu
s lch tnh in ca cc
Sng in t
nhiu x.
Chm tia ti
Mu
Tia nhiu x
Mn hunh quang
Li trit
Li 1
Li 2
Li 3
Li 4
- Li 2 v 3 c th m
(U0 U), gi l li trit,
c tc dng ch cho nhng
in t c nng lng hp
eU ca cc tn x n
hi i qua v ti mn nh.
NATuan-ITIMS-2007

- in cc li th 4 cng thng c ni t vi th bng 0 V, gim s thm
nhp in trng ca cc li trit do cao th ca mn hunh quang, lm thy
c cc vt nhiu x.
- Mn hynh quang trong sut nn c th quan st c cc vt nhiu x t pha
sau (mn nh) m khng thy bng ca mu, nhng b sng in t (c /knh <
15 mm) gy tr ngi. Vng nh quan st c hon ton c ng knh rng ~
140 mm.
- Tnh i xng ca gin LEED nhn c phn nh tnh i xng ca cch sp
xp cc nguyn t b mt mu tinh th.
- Cng ca vt nhiu x, l hm ca nng lng, xc nh chnh xc cch sp
xp nguyn t trong c s.
- Ngy nay t s dng mn hunh quang, phim nh ghi nhn gin nhiu x
LEED. Thay vo ngi ta s dng mn CCD, c bit s dng cc thit b hay
detector phn tch profile vt nhiu x n l (SPA-LEED) o s phn b cng
ca cc vt nhiu x LEED.
NATuan-ITIMS-2007

Mu tinh th
Li ra ca
chm tia
Mn hunh quang
Cc li trit
Sng in t
NATuan-ITIMS-2007

S nguyn l ca mt h SPA LEED
Mn hynh
quang
Cc vt
nhiu x
Cc phin
in cc
pha mn
hnh
Sng in t
B phn tch
knh in t
(detector)
Cc phin
in cc
pha tinh
th
Tinh th
Thu knh
tnh in
pha tinh
th
Cc thu knh tnh in

dng 8 phin in cc
dng iu khin gc
ca chm i n
detector in t.
NATuan-ITIMS-2007

S cu to ca SPA LEED (Spot Profile Analysis)
(Picture from: Henzler,Gpel, Oberflchenphysik

des Festkrpers, Teubner Stuttgart 1994).
NATuan-ITIMS-2007
NATuan-ITIMS-2007

S ca bung chn khng siu cao (UHV) s dng cc php o LEED v AES
NATuan-ITIMS-2007

* Phn tch LEED
- Thng tin thu nhn c t LEED: c th nhn c 2 loi thng tin trc tip t
gin nhiu x LEED. l:
+ V tr ca cc vt nhiu x: cung cp thng tin v tnh tun hon, tnh i xng,
tnh trt t tm trung ca b mt tinh th.
+ Cng cc vt nhiu x: xc nh mc hon ho ca s sp xp cc
nguyn t b mt (phn tch ging nh s dng nhiu x tia X trong tinh th hc).
C th l thng tin v v tr v tnh ng nht ca tt c cc nguyn t c
trong c s ca lp tinh th b mt.
LEED spot profile
(c o bng k
thut SPA-LEED
vi cc phn
gii khc nhau)
Gin LEED
NATuan-ITIMS-2007

- M t cu trc tinh th hc ca b mt: Do in t khng thm su vo khi
tinh th c thng tin v tnh tun hon 3D, nn cc gin LEED c
xc nh bi tnh tun hon b mt 2D.
+ Tnh tun hon 2D ca b mt tinh th nhiu x c m t bng 2 vector mng
nghch a* v b* song song vi b mt tinh th c chiu chm tia .
Mt nt mng ca b mt c biu din bi vector mng:
R = ma + nb.
+ iu kin Laue hay Bragg 2D t xc nh cc vector mng nghch trong

trng hp ny l:
a a* = b b* = 2
a // a* ; b // b*
a b* = b a* = 0
a b*; b a*
(|a*| = 2 / |a|; |b*| = 2 / |b|)

Nh vy cc vector mng nghch a* v b* cng song song vi b mt tinh th, v
xc nh gin LEED trong khng gian vector sng.
+ Mi vt nhiu x trn gin LEED c xc nh bi cc vector mng nghch
a* v b* nh sau:
G(m,n) = ha* + kb*.
NATuan-ITIMS-2007

- Khi nim ca c s b mt:
+
c s l n gin nht lp li mt cch tun hon m c th lp y mt

cch ng nht trong mt dy c sp xp theo mt trt t no (ordered
array). Dy y l s sp xp trt t ca cc nguyn t b mt. Bng cch
tnh tn c s, c th xy dng c ton b cu trc ca dy.
V D
B mt fcc(100)
b
Lu : Cc hnh
y m t cc
nguyn t b mt
c nhn t trn
xung (top-view)
a
a
(a)
a
(b)
B mt fcc(100) c /x quay bc-4 (/x hnh vung).

C th c 2 la chn c s trong trng hp ny.
+ Thng la chn c s sao cho b ngc chiu kim ng h i vi a nh

trong trng hp hnh (b). B mt fcc(100), c s tho mn: |a| = |b| v a b.
+ Lu : Chiu di ca cc vector a v b lin quan n hng s mng a ca c
s khi (hnh vung mu hng) bi h thc: |a| = |b| = a/2.
NATuan-ITIMS-2007

+
Khi mng tinh th khi c cu trc kiu fcc v b mt thc hin nhiu x song
song vi mt (110), c s l hnh ch nht c tnh cht: |a| < |b| v a b.
V D
B mt fcc(110)
b
a
Trong trng hp ny, b mt fcc(110) c /x quay bc-2

v c s c dng hnh ch nht c ch ra trong hnh.
NATuan-ITIMS-2007

+
Vi trng hp b mt thc hin nhiu x song song vi mt (111), c s l

mt hnh thoi c tnh cht: |a| = |b| v ab 90o
Cng c 2 la chn c s trong trng hp b mt l fcc(111): ng vi ab

< 90o v ab > 90o
V D
B mt fcc(111)
a
b
a
Trong trng hp ny, b mt fcc(111) c th c

/x quay bc-3 hay bc-6, v c s c dng hnh
thoi c ch ra trong hnh. Thng c s c
chn vi ab = 120o
NATuan-ITIMS-2007

- Cc cu trc ca cc lp lng ng bn trn b mt:
+ Nu c cc nguyn t hay phn t c hp th trn mt b mt c cu trc v
tnh i xng xc nh, cng c th s dng nhng tng m t v cu trc
tinh th b mt trn y xc nh cu trc v tnh trt t ca cc nguyn t
hay phn t hp th ny.
+ c s ca cht hp th b mt cng c xc nh bi 2 vector, phn bit
vi c s ca b mt , y k hiu l b1 v b2.
+ Thng chn b2 i ngc chiu kim ng h t b1; v b1 song song vi a (ca
b mt ) cn b2 song song vi b (ca b mt ) .
- Cc k hiu m t cu trc ca s lng ng trn b mt:
C 2 kiu k hiu thng c s dng:
+ K hiu Woods
+ K hiu ma trn
Lu : K hiu Woods l n gin nht v thng hay c s dng nht, nhng
ch i vi trng hp khi 2 c s ca cht hp th v ca b mt c cng
tnh i xng hoc c tnh i xng rt gn nhau (c bit hn l phi c gc gia
cc vector c s ca cht hp th bng gc gia cc vector c s ca b mt :
b1b2 = ab).
NATuan-ITIMS-2007

+ K hiu Woods: K hiu y l: X{hkl} (mn)Ro A
- K hiu Woods bao hm 2 ngha:
* Trc ht, n bao hm v di ca hai vector c s ca cht hp th b1 v b2
trong hai vector c s ca b mt , a v b.
* Tip theo n biu din gc m cc vector c s ca cht hp th trn b mt b
quay i so vi cc vector lp b mt .
- Trong k hiu Woods y , X v A l k hiu tng ng cho v cht hp th
trn , {hkl} l ch s Miller ca mt phng b mt .
K hiu (mn)Ro xc nh quan h t s v di ca cc trc c s a v b ca
vi cc trc c s b1 v b2 ca cht hp th trn b mt m ngha u tin
trn y cp n: (mn) = (|b1|/|a| |b2|/|b|) m = |b1|/|a|; n = |b2|/|b|.
- Thng cch k hiu Woods hay c dng di dng n gin l (mn)Ro
- Mt s v d v kiu k hiu Woods:
* (2 x 2)R0o; trong (2 x 2) c ngha l |b1| = 2|a| v |b2| = 2|b| ( c s cht hp
th ln gp 2 ln c s b mt v hng cc vector c s tng ng vn
l song song vi nhau, khng b quay lch i).
* (2 x 2)R45o; trong (2 x 2) c ngha l c s ca cht hp th vi cc
trc b1 v b2 chnh l ng cho ca c s ca b mt . ng thi gc ca
b cc vector c s ny lch i mt gc 45o.
NATuan-ITIMS-2007

+ Lu :
- Kiu k hiu Woods, ngoi vic c s dng k hiu cu trc ca
cc lp nguyn t c hp th trn mt b mt no (nh
cp trn), n cn c dng m t cu trc ca bn thn lp b
mt khi nghin cu cu trc tinh th ca b mt bng nhiu x in
t nng lng thp,LEED, ngha l khng phi nghin cu lp cht
c hp th trn b mt .
Khi kiu k hiu Woods th hin t s cc chiu di ca cc trc
a v b trong lp b mt vi cc chiu di ca chng trong khi, v
mc quay gc gia cc vcter c s trn b mt v trong khi.
Ngha l LEED cho php nghin cu mc sai lc ca cu trc b
mt so vi trong khi vt liu.
NATuan-ITIMS-2007

- Mt s kiu sp xp cc nguyn t cht hp th trn cc b mt c cu trc
lp phng:
B mt fcc(100)
- Substrate : fcc(100)
- Substrate unit cell
- Adsorbate unit cell
- Adsorbate atoms
c s ca b mt c cu trc fcc(100) v
cc ng.t ca cht hp th lin kt ngay trn
nh (on-top) vi tng ng.t b mt theo
cu hnh ( 2 x 2 ).
-Substrate : fcc(100)
- Adsorbate atoms
Mt kiu lin kt b mt khc c cng cu
hnh ( 2 x 2 ) trn c cu trc fcc(100):
cc ng.t hp th nm nhng ch trng
bc-4 (four-fold hollows) ca cc ng.t b
mt .
NATuan-ITIMS-2007

B mt fcc(110)
- Ghi ch: Trn y c hai cu trc sp xp vi cu hnh (2 x 2) c gi l cu hnh
nguyn thu [primitive (2 x 2), hay p(2 x 2)]. Ngha l cc c s thc s l nhng
n gin nht c th dng m t cu trc ca cht hp th b mt, v ch cha
mt n v lp li.
Lu : ch p c s dng y, hoc c th khng s dng, vi ng l cu
hnh (hai hai) nguyn thu phn bit vi
cc cu hnh (hai hai) khc).
- Cu hnh (2x2) nh trn cng c tm thy
cch sp xp ca cc nguyn t hp th
trn b mt c cu trc fcc(110).
Tuy nhin, trong trng hp ny cc ng.t hp
th li xut hin di mt hnh thc bn ngoi
hon ton khc vi trng hp hp th trn b
mt c cu trc fcc(100) nh trn y.
Trong trng hp fcc(110), c s ca cht hp th ln
gp 2 ln c s ca b mt theo c 2 chiu, nhng vn
- Adsorbate atoms
duy tr dng ch nht c t s (1:2) v khng b xoay i.
NATuan-ITIMS-2007

B mt fcc(111)
- Mt cch sp xp khc cng theo cu hnh (2 x 2) ca cc nguyn t cht hp th
ln b mt c cu trc fcc(111), cng thng xy ra nh m t hnh di y.
- Trong trng hp ny c s ca cht hp th cng c tnh i xng nh ca
c s ca b mt , nhng c di gp i theo c 2 chiu (din tch gp 4 ln)
v khng c s quay gc gia hai c s ny.
- c s, c ca b mt v cht hp
th, u cng c trc i xng bc-3.
- y cc nguyn t ca cht hp th
nm ngay trn nh ca cc nguyn t b
mt, nhng theo kiu cch mt.
Adsorbate atoms
NATuan-ITIMS-2007

- V d sau y cho thy mt cu trc b mt kiu khc c quan h gn gi vi cu
hnh kiu (2 x 2) khi cc nguyn t c hp th trn mt b mt c cu trc fcc(100).
Khc l ch c thm mt nguyn t tm ca c s ca cht hp th c cu
hnh (2 x 2).
- y, nguyn t tm c s ca cht
hp th tng ng v mt tinh th hc vi
cc nguyn t cc nh ca ny (ngha l
khng phn bit bi chnh cc to vi
bn di, hay bt k c trng cu trc
no khc). V vy y khng cn l mt cu
trc p(2 x 2) na.
Adsorbate atoms
c(2 x 2)
(2 x 2)R450
- Trong trng hp ny, ngi ta c th phn

loi chng theo 2 cch:
*) Biu din l: centred (2 x 2) hay c(2 x 2),
nhng vy ta s dng mt c s
khng nguyn thu, cha 2 n v lp li.
**) Biu din l: (2 x 2)R450, v nh vy
s dng mt c s nguyn thu thc s.
NATuan-ITIMS-2007

- Trong cch k hiu Woods nh (2 x 2)R450, c ngha l c s ca cht hp
th ln gp 2 ln c s ca theo mi chiu trn b mt, ng thi cng b
xoay i mt gc 45o trong mt phng b mt so vi c s ca .
- Lu : Nu nguyn t tm khng tng ng v mt tinh th hc th cu trc
vn l mt c s nguyn thu p(2 x 2), nhng khi c mt c s (basic) vi 2
nguyn t hp th c mt trong mt n v.
- C th s dng mt cch m t c s c tm i vi mt cu trc m c s
nguyn thu khng th c m t bng k hiu Woods thng thng.
V d: cu trc kiu c(2 x 2) trn b mt fcc(110):
Substrate : fcc(110)
c( 2 x 2 )
NATuan-ITIMS-2007

- V d sau y minh ho mt cu trc ca cc nguyn t lng ng c quan st
thy rt ph bin ln b mt c cu trc fcc(111) m c th c m t mt cch
d dng bng k hiu Woods:
Hy t xc nh n v ca
cht hp th.
(3 x 3)R30o
NATuan-ITIMS-2007

- V d sau y minh ho mt cu trc ca cc nguyn t lng ng c quan st
thy rt ph bin ln b mt c cu trc fcc(111) m c th c m t mt cch
d dng bng k hiu Woods:
n v ca cht hp th trong
trng hp ny c xc nh
nh sau:
Ko di n v ca ra mt
on tng ng bng 3 ln (1.732),
sau quay i mt gc 30o.
(3 x 3)R30o
NATuan-ITIMS-2007

+ K hiu ma trn: y l cch k hiu ph bin hn cch k hiu Woods. N s
dng c cho tt c cc kiu xp chng c trt t ca cc nguyn t trn mt
b mt ca tinh th.
- Cch k hiu ny s dng mt ma trn n gin biu th quan h gia
hai vector b1 v b2 ca c s cht hp th vi hai vector a v b ca c s
ca b mt :
b1
b2
M
(Lu : cc phn t ma trn ct l cc vector, cn cc phn t ma trn M
l cc s biu din t l gia cc vector c s)
ng vi k hiu Woods trn y, (mn) c chuyn thnh dng ging nh k

hiu ma trn. V d, dng k hiu Woods (2 x 2)R0o; c chuyn thnh dng
2 0
; dng k hiu (2 x 2)R45o c chuyn thnh dng ma
0 2
1 1
trn
(xem cc v d sau y).
1
1
ma trn
NATuan-ITIMS-2007

Substrate : fcc (100)
(2 x 2) overlayer
- i vi cu trc (2 x 2), ta c:
b1
b2
a
a
b
b
b2
Substrate : fcc (100)

c(2 x 2) overlayer
b
a
b1
b2
- i vi cu trc c(2 x 2), ta c:

b1
b2
a
a
b
b
b1
b
a
NATuan-ITIMS-2007

Tm li
Cc cu trc b mt c trt t c th c m t bng cch xc
nh n v ca cht hp th trong mi quan h vi n v
ca bn di bng:
1) K hiu Wood: trong cc di ca b1 v b2 c xc nh mt cch
n gin bi mt nhn s ca a v b tng ng, v iu cn c ko
theo bi gc quay ca b1 ra khi a (nu gc quay khc zero).
2) K hiu Matrix: trong b1 v b2 c xc nh mt cch ph thuc nh l
t hp tuyn tnh ca a v b v quan h ny c biu din di dng mt
ma trn.
NATuan-ITIMS-2007

- Tin on/gii thch cc gin LEED
+ Tng t nh /v cc nh nhiu x Laue, cc gin nhiu x LEED cng l
php bin i Fourier ca KG mng thun ca tinh th b mt c nhiu x.
Ni cch khc, gin LEED chnh l nh Fourier ca KG mng tinh th. V vy
trt t cc nh nhiu x LEED phn nh tnh trt t ca lp tinh th b mt gy
ra s nhiu x in t.
S tng ng gia cu trc

(cch sp xp v tnh tun
hon) ca cc nguyn t b
mt v dng gin LEED
tng ng quan st thy.
+ Cn ch rng khong cch gia cc vt nhiu x (trong KG mng nghch) lun

t l nghch vi khong cch tng ng gia cc nguyn t trong KG mng thun.
NATuan-ITIMS-2007

Hy nh li rng nu mng l 1 dy cc nguyn t cch nhau a nh nh.x l
nhng ng thng cch u nhau l 2/a & vung gc vi dy ng.t v /k Bragg l
n = asin. Nu l mng 2D, ta c cc /k Bragg l n = asina v m = bsinb.
Do vt nh.x chnh l giao im ca 2 h thng ng thng vg.gc vi nhau,
ng vi cc cnh a v b ca mng 2D.
Cu trc tinh th (khng
gian mng thc)
Gin nhiu x (khng

gian mng nghch)
G (hkl )
rG
O (000)
- V khong cch ca mt vt nhiu x G (hkl) l rG trn gin LEED, tnh t vt gc O (000)

no lin quan ti khong cch gia cc mt hkl ca tinh th, dhkl, qua h thc: dhkl = L/rG,
trong l khong cch t b mt tinh th c chiu n mn nh nhiu x.
- T xc nh c dhkl xc nh c ch s phn x hkl.
NATuan-ITIMS-2007

- Cc lu quan trng khi nhn nh v nh nhiu x LEED
+ Trong trng hp nh nhiu x LEED thu c khi nghin cu cc lp c hp
th trn b mt, lun ghi nh rng cc vt nhiu x LEED c khong cch gn
vi nhau hn so vi trng hp nhiu x ch c khng. iu c ngha l
khong cch gia cc nguyn t hp th ln hn so vi khong cch ca cc
nguyn t b mt .
V d c hai nguyn t c th c 1 nguyn t c hp th (nhng vn l
nguyn t hp th nm u, v tr nh th no trn b mt ?).
+ V vy mt iu quan trng khc y trong vic on nhn v gin nhiu x
LEED l ch mt mnh gin nhiu x LEED thi khng thng tin ni v v tr
c hp th. nh nhiu x LEED ch cho bit thng tin chung v tnh i xng
bao trm ca cc v tr c hp th trn b mt.
NATuan-ITIMS-2007

V d:
C th c 3 kh nng sp xp cc nguyn t hp th trn b mt nh sau, v
chng u cho cng mt kiu bc tranh nhiu x LEED ging nhau: cu hnh p(2 x 2)
trn b mt fcc(100).
Cch sp xp cch mt
ngay trn nh (on-top)
Cch sp xp cch mt
ch lm bc-2
(two-fold hollows)
Cch sp xp cch mt
ch lm bc-4
(four-fold hollows)
NATuan-ITIMS-2007

Mt s dng mng thun (ng vi cu trc tinh th b mt) v mng nghch
tng ng (ng vi dng gin LEED quan st c) ca cc c s
thng gp.
b*
Mng hnh vung

b
Mng ch nht c tm
a*
b*
a
a*
Mng lc gic
b
a
b*
Mng hnh thoi
a*
b*
b
a
a*
Mng hnh ch nht

b
a
b*
a*
Cc vt nhiu x LEED
NATuan-ITIMS-2007

Bi tp
Xc nh cc ch s phn x trn cc gin nhiu x
Nu bit ch s i vi 2 vt nhiu x, v d 2 vt tng ng vi 2 vector g1 v
g2, ta c th xc nh c ch s ca cc vt cn li , v d vt ghkl, bng cch
s dng vector tng hp t cc vector bit.
110
000
020
NATuan-ITIMS-2007

Bi tp: phn tch mt nh LEED cho thy thng tin v kch thc v hnh dng
ca c s ca tinh th b mt.
gi = 2/ai
a1 = 2(g2 x n)/|g1 x g2|
a2 = 2(n x g1)/|g1 x g2|
Vi n l vector php tuyn ca b mt nhiu x.
NATuan-ITIMS-2007

* Phn tch hnh dng ca vt nhiu x LEED
- Nh thy trn y, v tr cc vt nhiu x LEED ch mang thng tin v tnh i
xng chung v kch thc ca c s b mt.
- Trong khi cu trc ca vt nhiu x, nh hnh dng, phn b cng v
rng ca vt, ngha l profile ca cc vt, li mang thng tin v mc trt t/v tr
nguyn t v loi c s b mt.
- Hnh dng ca cc vt nhiu x LEED l do tnh trt t ca cc nguyn t b mt
quy nh:
+ Cc vt sc nt v nh khi b mt rng v rt trt t.
nh STM cho thy b mt c cu trc tinh th
hon ho. V vy cc vt nhiu x LEED thng
nh v sc nt.
iu ny cn ng rng ton b b mt nhiu
x l mt tinh th ln.
B mt tinh th cng ln (tng ng vi
kch thc tinh th cng ln) vt nhiu x
cng nh. V ngc li, ht tinh th trn b mt
cng nh s to ra cc vt nhiu x cng ln.
NATuan-ITIMS-2007

+ Nu trn b mt tinh th hon ho xut hin ch 1 o nh gm cc nguyn t
hnh thnh nn mt ming p c tnh trt t ring, khc bit vi tinh th b mt,
vt nhiu x LEED b nho rng ra.
+ Nu trn b mt tinh th hon ho xut
hin nhiu o nh gm cc nguyn t
hnh thnh nn nhng ming p, hoc
to thnh nhng bc thang trn b mt,
cc vt nhiu x LEED khng nhng b
nho rng ra, thm ch cn b tch.
o s phn b cng ca cc vt
nhiu x LEED nhng v tr khc nhau.
LEED pattern
NATuan-ITIMS-2007

Nh vy c th nh gi c mc nhm trn b mt tinh th (lateral
roughness), rng cc vt xc v kch thc ca cc o thng qua rng
cng ca mt vt nhiu x LEED.
Lisland
K//~1/Lisland
K
K//
FWHM
rng ca cng vt nhiu x l nghch o ca kch thc ngang trung

bnh ca o tinh th hnh thnh trn b mt : FWHM = K// ~ 1/Lisland
Hnh dng ca vt nhiu x cha thng tin v phn b thng k ca cc o c
kch thc khc nhau.
V vy o profile cc vt nhiu x LEED s cho php nh lng c cc thng
tin v b mt tinh th cng nh nhng cht bm dnh hay lng ng trn .
NATuan-ITIMS-2007

- Mc nhm theo chiu vung gc vi b mt (vertical roughness), cao ca
bc thang, cc phn b theo lp trn b mt v chiu cao ca g gh (asperity
height) cng c th c nh gi qua vt nh.x.
K
K//
K//
- Ngoi ra cng ln nht ca profile ca vt nhiu x cn l o i vi s

nguyn t thuc v loi pha tinh th m gy ra vt nhiu x . V vy phn tch
ny cung cp thng tin v qu trnh chuyn pha cu trc.
NATuan-ITIMS-2007

* Phn tch cng profile ca vt
nhiu x LEED
(1 1)
- o cng profiles ca cc vt
nhiu x LEED trong gin ca pha
c(2x2) khi nghin cu s hp th
nguyn t xy trn b mt Ni(100).
(1/2 )
- 4 ph cng profile trong hnh bn

o ng vi 4 vt nhiu x c ch ra
trn ng thng ng trong ca s o
ca mn hnh my tnh. Ch s (hk) ca
cc vt ny ln lt t trn xung l
(11), (1/2 1/2), (-1/2 -1/2), (-1 -1).
(-1 -1)
(0 0)
(-1/2 -1/2)
- Tp hp cc profile cng vt
nhiu x c o theo cc nhit
khc nhau cho php quan st qu trnh
thay i trt t theo nhit .
NATuan-ITIMS-2007

- Ngoi ra, c th nh gi c nhiu thng tin khc na t gin nhiu x LEED:
+ Xc nh v tr ca cc nguyn t trong c s b mt (ngha l xc nh cu
trc b mt) bng o cng tch phn ca vt nhiu x.
+ Nghin cu cc cu trc hp th nh x (cc mnh hay cc mu nguyn t,
phn t c hp th trn b mt nhng khng c trt t tm xa) thng qua
tnh d hng ca phn b cng , hay cn gi l tnh loang d hng ca
vt nhiu x LEED.
LEED pattern of a
"clean" Ni (100)
surface
The same surface

covered with
potassium
The amplified
difference map
+ Hay c th quan st c tng quan v v tr gia

cc nguyn t v nguyn t c thm vo thng qua
php biu din ton nh (s dng php giao thoa ca cc
tia c tch t mt chm tia nhiu x ban u: holography).
NATuan-ITIMS-2007

2) HEED (High-energy electron diffraction)
(hay cn gi l k thut phn x ca cc tia nhiu x nng lng cao, RHEED)
- HEED ch yu nghin cu cu trc ca CR dng l mng, mng mng v cc
ht nh (chiu dy hoc ng knh ~ 109 to 106 m), cu trc ca cc phn t, v
cng c dng cho phn tch b mt ca cc vt liu kt tinh.
- K thut HEED s dng chm tia n sc, song song v c ng knh ~ 103
n 108 m (~ 4 102 n 4 107 inc.) chiu ln b mt mu.
- Trong k thut ny, cc tia tn x ngc b b qua, cc tn x thng c ghi
nhn bng mn hunh quang, phim nh hay cc detector nhy dng in (thng
khng hn ch i vi cc tn x khng n hi).
- Ging nh LEED, k thut phn x ca cc tia nhiu x nng lng cao
(Reflection HEED - RHEED) c s dng xc nh s sp xp theo b ngang
ca cc nguyn t/phn t trn b mt CR, bao gm c cu trc ca cc lp c
hp th ln b mt CR.
- K thut RHEED cng xc nh tnh tun hon ngang ca cc ng.t sp xp
song song vi b mt, nhng c u im hn so vi LEED ch c th s dng
ngay c vi cc b mt rt g gh, nh b mt b n mn, b kt t/kt ta,... v cc
nhanh thm su c vo nhng ch g gh v to ra gin truyn qua HEED.
- K thut RHEED c bit quan trng kho st v iu khin qu trnh hnh thnh
v pht trin ca mng mng thng qua hin tng dao ng ca cng ca
chm tia "phn quang" (specular) gy ra khi mc t n lp ny n n lp khc.
NATuan-ITIMS-2007

H RHEED/MBE
S cu to ca h MBE vi
s b tr h o RHEED
NATuan-ITIMS-2007

K thut RHEED
- Gc ti nh (~ 50) v ch quan
st c cc lp trn b mt,
v cng vi nng lng ca
in t, c gi c nh trong
sut qu trnh nhiu x.
S thc nghim
nhiu x RHEED
- Nng lng in t nm trong

khong 5 100 keV, tng ng
vi s sng k = 2/ ~ vi trm -1.
- B phn quan st c th l mn hunh

quang hoc detector s, hay mn hin
th CCD ghp ni my tnh.
Mn hunh quang
& cc vnh nhiu x
Hnh nh gin nhiu x RHEED
Mu
Chm tia-e
ti nng
lng cao
NATuan-ITIMS-2007

K thut RHEED
Nguyn tc to nh
nhiu x RHEED
NATuan-ITIMS-2007

K thut RHEED
Nguyn tc to nh nhiu x RHEED
NATuan-ITIMS-2007
Mng o hai chiu

trong khng gian ba
chiu l mt hng cc
thanh i qua cc nt
o hai chiu v vung
gc vi b mt mu.
Mng o l cc
thanh thng gc vi
b mt mng thun
Mng thun hai chiu
~ 3-50
NATuan-ITIMS-2007

Hnh cu Ewald cho nhiu x b mt
Hnh cu gii hn: Do gii hn v phm
vi nhiu x (vng chiu dy tinh th c
thc hin nhiu x t chm tia e ti rt
nh) m ch mt s mt phng c h,k,l hn
ch no thc hin c s nhiu x
(thng cc mt c ch s thp).
NATuan-ITIMS-2007

Cc bc xy dng cu Ewald trong trng hp s dng k thut RHEED
Dng khng gian mng o.
Dng vc t sng ti c mi trng

vi gc mng o.
NATuan-ITIMS-2007

Cc bc xy dng cu Ewald trong trng hp s dng k thut RHEED
Dng hnh cu Ewald tm l gc

ca vec-t sng ti.
nh du tt c cc im l nt
o v nm trn hnh cu Ewald.
V cc vc t mng o tng ng
vi nt o.
Cc vc t trn l cc hng c th
cho cc i nhiu x
Mt s hng b dp tt do tnh cht
ca mng Bravais.
NATuan-ITIMS-2007
NATuan-ITIMS-2007

Cc dng hnh hc nh nhiu x RHEED
- Vi b mt kh phng:
- Vi b mt kh g gh:
n tinh th, mt phng l

tng: nh l cc chm r
nt, gi l cc vt nhiu x.
a tinh th: nh l chng

chp ca nhiu vt nhiu x,
to ra cc ng trn ng
tm, gi l cc vnh nhiu
x.
Mng ang mc theo tng

lp (epitaxy): nh l cc vt
nhiu x c dng sc vung
gc vi b mt mng mng.
Khi mu th nhm, chm

in t c th thm nhp
nhiu lp trn mu, nh ED
ging nh c chp bng
phng php Laue.
NATuan-ITIMS-2007

- S chm trn nh RHEED ca mu c b mt g gh kh dy c do s sng in
t ln hn nhiu so vi n v mng o.
NATuan-ITIMS-2007

3) TED (transmission electron diffraction)
S nguyn l v cu to ca TEM c chc
nng thc hin nhiu x in t truyn qua TED)
NATuan-ITIMS-2007
Virtual
Aperture
Specimen
- thc hin ch nhiu x ED

trong knh TEM, khe h ca vt knh
(objective aperture) c b i khi
Lower Objective
Lens
ng i ca chm tia v tr mt
phng tiu pha sau vt knh (back
focal plan) v knh c iu chnh
nh nhiu x TED
BackFocal Plan
thu nh nhiu x (iu chnh s t

tiu ca mt phng tiu) ri ln mn
nh quan st m khng to nh
trn mt phng nh.
SAAperture
Nguyn l to nh nhiu x TED
NATuan-ITIMS-2007
Bng cch iu chnh cng

dng in ca vt knh
(thu knh t, do lm tng
cng t trng) iu
chnh tiu im sao cho vt
nhiu x c sc nt v ri
ln mn hnh quan st hay
thit b hin th.
NATuan-ITIMS-2007

- nh nhiu x LED v xc nh ch s cc vt nhiu x
Lattice plane
have spacing of d
K+g
b*
Camera length L
a*
D
K+g
Ewald Sphere
g
D
V rt nh (~ 0.04 ) bn knh cu Ewald ~ 1/ rt ln, gn nh ng thng,

v gc B nh c th ly gn ng sinB ~ B v & tan2B ~ 2B
D
= tan ( ) = tan (2 B );
L
2 dSin B =
1 D
d L
NATuan-ITIMS-2007

Xc nh cu trc N TINH TH t gin nhiu x TED
r/L = tan2
Hnh hc nhiu x in t
T nh lut Bragg: 2dsin = .

V rt nh sin ~ & tan2 ~ 2
Mn nh
Thu
knh t
r/L = 2 = 2(/2d)
r = L/d
r
Nu o rG trn gin nhiu x ng
vi vt nhiu x G, v , L l nhng
hng s, th dhkl ca vt G c tnh:
dhkl = L/rG
Sng-
Mu
T = Chm tia truyn thng
O = Tm im trn mn nh nhiu x
S = Chm tia nhiu x Bragg
G = Vt nhiu x Bragg
r = Khong cch t tm mn nh n vt
nhiu x Bragg G.
NATuan-ITIMS-2007

Kch thc mu mng lm cho cc nt mng nghch b ko di ra theo hng mng
nghch tng ng vi chiu b lm mng trong khng gian thc ca mu tinh th:
Chiu lm
mng mu
tinh th.
Nu c cc mt phn x (001)
th cc nt mng nghich s b ko di ra
Mng khng gian thc

Mng khng gian nghch
theo hng [001]* trong mng nghch.

Chiu ko di ca
nt mng nghch
(vung gc vi
chiu mng ca
phin/mng mng).
Vi cc mu n tinh th, khng phi lc no cng c mt phng c th tho mn iu

ny. Tuy nhin, y l cch xc nhn cc pha tinh th nh hng chm tia e sao
cho song song vi cc hng mng c ch s hkl thp d dng ghi nhn c cc
vt nhiu x.
NATuan-ITIMS-2007

- Bc sng in t rt nh Bn knh cu Ewald rt ln (1/).
Gc nhiu x cng rt nh (1-2).
- Mu tinh th mng
Nt mng nghch b ko di ra .
Lm cho cu
Ewald tr nn
ct ton b nt
mng nghch m
hnh chiu ca
chng l cc vt
trn mn hnh:
NATuan-ITIMS-2007

Xc nh cu trc A TINH TH t gin nhiu x TED
rhkl
Gin TED thu c t mu tinh th gm rt nhiu cc tinh th con c

phn b ngu nhin c dng gm cc ng trn lin tc v ng tm. Bn
knh ca cc vng ny t l nghch vi khong cch gia cc mt phn x
dhkl ca mng tinh th. dhkl = L/rhkl, (r - bn knh ca cc vnh nhiu x)
dng xc nh ngha l ch s hkl.
NATuan-ITIMS-2007

Kiu gin nhiu x tiu biu ca mt
mu gm nhiu tinh th con
v mt mu VH
nh nhiu x TED c to ra t vt liu gm

nhiu tinh th nh, mt s tinh th c nh
hng ng theo gc Bragg, trong khi mt s
khc th khng. Gin gm cc vng sng gn
nh lin tc m khng phi l cc vt nhiu x.
Gin TED c to ra
t mt cu trc VH ch
to ra mt vng sng
tm gin , ng vi vt
ca chm tia in t
truyn qua mu, v mt
vng n to ra bi s
tn x ngu nhin ca
cc in t.
NATuan-ITIMS-2007

Cc kiu gin nhiu x in t truyn qua (TED)
Cu trc n tinh th kiu rn men

(MOSAIC SINGLE) CRYSTAL
Cu trc si kiu tm
(PLATELIKE TEXTURE)
Cu trc a tinh th
(POLYCRYSTAL)
NATuan-ITIMS-2007

Xc nh c s i vi tinh th
cha bit:
C th ghi nhn c nhiu mt ct khc
nhau ca mng nghch bng cch
nghing mu tinh th trong my nhiu x
in t (trong mt knh hin vi TEM).
T xc nh c kiu mng v cc
tham s tng ng nu bit quan h ca
cc mt ct 2D thu c ny.
gin chun (atlat) ca hnh chiu ni i

vi tinh th lp phng.
NATuan-ITIMS-2007

V d xc nh c s ca mt pha mi ca bn dn mng mng pentacene:
1. Nghing tinh th cha bit i
mt gc nh thu c gin
nhiu x in t (ED) u
tin c ch s hkl bc thp.
2. Nghing tip tinh th dc theo
mt hng no v ghi cc
gin ED tng ng, sau
tp hp t nht 3 gin ED li.
Vit cc gc nghing ny ra.
3. Dng li mng nghch.
4. Xc nh ch s ca gin
v kim tra cc gc nghing
(thc nghim v tnh ton).
4 gin ED thu c bng cch nghing tinh th pentacene
(Ghi ch: Pentacene l mt cht
bn dn hu c quan trng nht
dng trong cng ngh ch to cc
transistor mng mng hu c cht
lng cao).
mng mng (lng ng trn (100) NaCl vi tc cao nhit

phng sau c 200C trong 2 gi). Mng tinh th c
ti to li sau khi phn tch v tnh ton cho thy y l mng 3
nghing (triclinic) c a = 6.08 , b = 7.63 , c =15.3 , = 80.7,
= 84.5 v = 89.5, vi khong cch d ca cc mt (001) l 15.1
. Cc gc thc nghim (khng c ngoc n) v cc gc tnh
ton (trong ngoc n) c ch ra hnh trn y.
NATuan-ITIMS-2007

Nghing tinh th c 3 gin ED ng vi 3 vng khc nhau
S biu din phng php nghing tinh th

NATuan-ITIMS-2007

4) CBED (Convergent Beam Electron Diffraction)
- Cc k thut nhiu x in t nh truyn thng
thng s dng mt chm tia ti c kch thc
nh v song song chiu ln mt vng din tch rt
nh no trn mu, nn cn c gi l nhiu
x din tch chn lc (Selected Area Electron
Diffraction: SAED).
- Trong k thut ED c thc hin t mt hin vi
TEM, c ln v cng ca chm tia u c
th ng gp vo cho gin nhiu x. Vic ny
c thc hin bng cch s dng mt khe hp
hnh trn hn ch chm tia in t song song
chiu ln mu (xc nh m), cn gi l khu
(aperture), ti v tr mt phng tiu ca vt knh.
To nn mt mng ngn o (virtual diaphragm)
ti mt phng mu.
NATuan-ITIMS-2007

- Ngc li, k thut nhiu x chm tia in t hi t (Convergent Beam Electron
Diffraction: CBED) li s dng mt chm tia in t c hi t vi kch thc vt
rt nh (thng khong t vi hay vi chc ngstrom) hn ch vng mu c
nhiu x (K thut ny c thc hin ln u tin bi Kossel v Mollenstedt vo
nm 1939).
- Cc hin vi TEM thng c thit k t
hp c k thut nhiu x SAED v CBED.
a trung tm
- Khi mt chm tia hi t c chiu

xuyn qua mu tinh th mng, cc tia i
ra khi mu cc pha khc nhau, nh b
o ngc ging nh my nh. Tuy
nhin khng cn n nh ngc
c to thnh, m ch cn nhn vo
gin hiu x c to thnh vi cc
vt c phng to ra (xem slide sau).
- Tu thuc vo khong cch t vt knh
n b mt mu, c th chn c hoc
l vng Laue bc khng (zero order Laue
zone: ZOLZ), hay cc vng Laue bc cao
(higher order Laue zones: HOLZ).
NATuan-ITIMS-2007

- Trong mng nghch, tt c cc phn x (hkl) trong mt mt phng (vi php tuyn
{uvw}) tun theo nh lut v vng (zone law) nh sau: hu + kv + lw = N, vi N lun
l mt s nguyn, v c gi l bc Laue (Laue order). {uvw} l hng ca chm
tia in t ti.
- Cc ng Kikuchi cng xut hin t s tn x khng n hi ca cc mt c N
cao cc mt thuc vng Laue bc cao, HOLZ (higher order Laue zones).
- Ta s c cc vng Laue:
+ ZOLZ: vng Laue bc khng
(zero order Laue zone:),
+ FOLZ: vng Laue bc nht
(first order Laue zone:),
+ SOLZ: vng Laue bc hai
(second order Laue zone:),
HOLZ: vng Laue bc cao.
Ghi ch: cc nt mng thc c biu
din bng cc chm en, cc nt
mng nghch c biu din bng cc
thanh dc (b ko di theo chiu mng
ca tinh th). Bn knh vng nhiu x
ng vi FOLZ: g R1, RN ng vi
vng Laue bc N.
g
R1
RN
NATuan-ITIMS-2007

- Cc ng vng Laue bc cao (HOLZ) xut hin a trung tm ca gin khi
chm tia in t ti mu di mt gc hi t thch hp, v c chiu dc theo mt
trc vng no . (V d di y l chiu dc theo trc vng [210] ca tinh th GaAs).
a trung tm
NATuan-ITIMS-2007

- Khi mt u d in t c to ra t mt chm
tia hi t chiu vo mu tinh th mng di iu
kin nhiu x Bragg phn x bc cao (g) s to
ra trong cc vt a nhiu x v vt a truyn
thng qua (a tm) gm cc cp ng thng,
hoc thiu ht hay d tha cc ng thng.
a tm
- C th nhn thy cc cp ng ct nhau
hnh ch V trong vt a tm l chng
chp t cc ng trong cc vt a
a tm vi cc ng Kikuchi v nh phng to
nhiu x phn b xung quanh a tm.

NATuan-ITIMS-2007

- u im ln ca k thut CBED so vi k thut
SAED ch c nhiu thng tin hn thu c t
nhng vng din tch rt nh ca mu, thm ch
vt tri hn c mt s k thut khc.
- C phn gii khng gian cao hn so vi k
thut SAED, v c quy nh bi kch thc
chm tia nh nht ca u d in t. Kch
thc ny c th t c phn gii n c
ngstrom, in hnh l khong 0.2 nm (2 ).
- Cc gin cha thng tin v i xng tinh
th, cu trc nguyn t v in t ca vng
c nhiu x trong mu.
- Mt chm tia in t hi t to thnh mt
gin nhiu x Fresnel (trng gn).
nh nhiu x CBED ca mu n tinh

th Si, cho thy cc vt nhiu x c
phng i ln, gi l cc a (disk).
- Cc vt nhiu x thu c t k thut CBED s c dng a (disk), trong th hin r

s bin i cng nhiu x (trong nhiu x thng thng, cc tia nhiu x Bragg to
nn nhng vt nhiu x (spot), l nhng im hay nhng nt nh). (hnh slide sau)
- Cc gin ny cha ng nhiu thng tin v i xng v chiu dy ca tinh th.
NATuan-ITIMS-2007
nh nhiu x in t thu c trn cng mt mu tinh th 2 ch chm

tia ti khc nhau: chm tia song song (ch SAD) (bn tri), v ch
CBED (bn phi). Cc gin nhiu x tng ng quan st thy c dng vt
(sport pattern) vi ch SAED, v dng a (disk pattern) vich CBED.
C th nhn thy dng vn nhiu x Fresnel trong gin nhiu x CBED v cc
ng thng l cc ng nhiu x Kikuchi (hnh bn phi trn y) (v ng
Kikuchi s trnh by trong phn 5) EBSD di y).
- Quan h gia mt gin vt v mt gin chm tia hi t c th c kho st
(xem hnh slide sau)
bng cch thay i gc hi t chm tia.
NATuan-ITIMS-2007

- S hnh thnh cc vt nhiu x (ch SAED) hay a nhiu x (ch CBED)
ng vi s thay i gc hi t () ca chm tia in t chiu ln tm tinh th mng.
NATuan-ITIMS-2007

- S hnh thnh cc vt nhiu x (ch SAED) hay a nhiu x (ch CBED)
ng vi s thay i gc hi t () ca chm tia in t chiu ln tm tinh th mng.
Ghi ch: Khi

0 chm
tia song song
(ch SAD)
Gc t tiu nh
Ghi ch: Khi

> 0 chm
tia hi t (ch
CBED)
Gc t tiu trung bnh
Gc t tiu ln (quan st
thy cc ng Kikuchi)
NATuan-ITIMS-2007

- S hnh thnh cc a nhiu x (ch CBED)
ng vi s thay i khong cch chp nh nhiu
x (camera) (l khong cch gia vt knh pha
di v mn hin th).
Chiu di ln
Chiu di trung bnh
Chiu di b
NATuan-ITIMS-2007

- S thay i hnh dng vn nhiu x Fresnel
trong cc a nhiu x CBED khi thay i chiu
di tiu c (v tr t tiu) ca vt knh pha trn
mu ca chm tia in t chiu ln mu.
Qu im hi t
(Overfocus)
ng im hi t
(Focus)
Cha ti im hi t
(Underfocus)
NATuan-ITIMS-2007
C th nhn thy cc dng vn nhiu x Fresnel in hnh trong a trung tm

(hnh bn tri), hay cc a khc xung quanh a trung tm ca gin nhiu x
CBED v cc ng thng l cc ng nhiu x Kikuchi.
NATuan-ITIMS-2007

- Quan st nh bng (shadow image) trong ch kiu CBED.
Gin nhiu x ch CBED
1. Khi knh t II (Condenser II)

hon ton cha ti t tiu
(Underfocus).
2. Khi knh t II gn nh t tiu
(Approchingfocus).
3. Khi knh t II hon ton t
tiu (Focus) Ch CBED.
4. Khi knh t II qu im t
tiu (Overfocus) nh b
ngc so vi 2.
NATuan-ITIMS-2007

- Hnh nh gin nhiu x CBED ng vi chiu dy ca tm tinh th mng khc nhau.
Mu tinh th mng
Mu tinh th dy
NATuan-ITIMS-2007

- V tr chnh xc ca cc ng nhiu x trong cc gin CBED vng Laue bc
cao (HOLZ) rt nhy vi s thay i ca tham s mng. V vy thc hin nhiu x
CBED thu cc ng vng Laue bc cao HOLZ v xc nh chnh xc v tr cc
ng ny ngi ta c th xc nh c s thay i hng s mng tinh th, v d
do ng sut n hi hay cc nguyn nhn khc dn n s bin dng (n hi)
mng tinh th chng hn. Nguyn l c trnh by hnh di y.
- u im ca cch xc nh ny so vi cc k thut khc ch thng tin nhn c

ch t mt th tch rt nh ca mu: ~ (10x10x100) nm3.
NATuan-ITIMS-2007

- V d di y l nh nhiu x CBED vi cc ng HOLZ ca Si (hnh (a) bn
tri). Khi to hp cht Si1-xGex, s thay th ca cc nguyn t Ge vo mt s v tr
ca Si lm cho mng tinh th Si b thay i i (dn ra) (hnh di bn phi), dn
n s dch chuyn ca cc ng HOLZ (hnh (b) bn tri).
NATuan-ITIMS-2007

Tm li, gin nhiu x CBED cung cp nhng thng tin sau:
- Chiu dy mu
- Thng tin chnh xc hn v cc thng s mng. C th xc nh c tt c 6 thng
s mng: a, b, c, , , .
- C th quan st trc tip mng nghch.
- Xc nh h tinh th v i xng tinh th,
- Xc nh s i xng 3D ca s sp xp cc ng.t: xc nh cc to khng gian.
- Xc nh pha.
- c trng sai hng ca cu trc tinh th, nh lch mng (dislocation).
- Xc nh c mt in tch lin kt.
Mt s nhc im:
- Gy nhim bn h (k thut CBED i hi mu phi sch, chn khng trong TEM
phi rt cao).
- Gy nng mu cc b, to ra dn n nhit v ng sut nhit.
Cn phi s dng b
gi nghing kp (double-tilt) c lm lnh cho mu

NATuan-ITIMS-2007

5) EBSD (Electron Backscatter Diffraction) - ng Kikuchi
1- Lch s pht trin ca k thut EBSD
- 1924: ln u tin khi Kikuchi thc hin nhiu x trn tinh th mica ( trong TEM)
quan st thy bn cnh nhng vt nhiu x cn c rt nhiu nhng vt nhiu x khc
di dng l cc ng ct nhau. gi l nhng ng Kikuchi.
- 1954: cc ng Kikuchi phn x ngc ( gc
cao) li c Alam, Blackman v Pashley quan
st thy trong TEM khi thc hin nhiu x ED
trn LiF, KI, NaCl v PbS2.
- 1969-1979: pht trin 3 k thut nhiu x trong

SEM, trong vo nm 1972 Venable v Harland
cng b nhng kt qu nghin cu vi tinh th
v vi texture bng k thut EBSD trn SEM.
Cc ng Kikuchi quan st thy ln u
tin tinh th mica bi Kikuchi.
NATuan-ITIMS-2007

- 1982-1984: s dng my tnh h tr vic xc nh ch s ca cc ng Kikuchi
trong EBSD v tr gi tr nn (Dingley, Wright, Adams, Schwarzer,).
- 1990: vic xc nh ch s trong cc gin EBSD hon ton t ng bng php
bin i Hough (Yale, Clausthal, Ris).
- 2000: phn tch t ng rt nhanh cc gin EBSD
+ K thut EBSD phn gii cao
+ Thc nghim EBSD ti ch (in-situ)
+ K thut EBSD dng cao (high current).
- K thut EBSD hin nay ch yu c s dng trong SEM, v vy k thut ny cn
c tn gi l k thut nhiu x in t trong SEM:
+ Khi mt chm tia n nh (v bc sng v kch thc hi t) chiu ln
b mt mu tinh th c t nghing trong bung mu ca SEM, cc in
t c th b nhiu x v to nn mt gin rt c trng trn mn hin th.
+ Cc in t ca chm tia ti lan to ra khp cc hng pha bn di
b mt mu do tng tc n hi (cc in t b tn x ngc), iu
tng ng nh mt ngun phn k vi kch thc rt nh (ch~100 nm)
nm pha sau b mt mu.
NATuan-ITIMS-2007

+ Cc in t t ngun phn k nh s b nhiu x bi cc mt tinh th (hkl) i
vi nhng tia no tho mn iu kin Bragg:
Hnh thnh cc ng Kikuchi
(hkl)
, d
n = 2dsin
NATuan-ITIMS-2007
(hkl)
, d
n = 2dsin
NATuan-ITIMS-2007
(hkl)
, d
n = 2dsin
NATuan-ITIMS-2007

2- K thut lp t thu nh gin EBSD
S kt cu cc thnh phn
c bn ca mt h EBSD.
nh pha bn trong bung SEM cho thy
cch b tr cc b phn thc hin k
thut nhiu x in t - EBSD.
NATuan-ITIMS-2007
Camera CCD (Charge-Coupled Device)

n nhit thp
nhy cao
Khng b ph hu v qu sng
Tc thp (?).
Camera SIT (Silicon Intensifier Target)

Tc cao
nhy cao
Tng phn cao
n (noise) cao.
NATuan-ITIMS-2007

3- B tr hnh hc thu nh EBSD - ng Kikuchi
Mt gin EBSD, gm cc
ng/di Kikuchi, ca Ni ghi
in th gia tc 20 kV.
Cc thng s hnh hc trong k thut ghi nhn nh
nhiu x EBSD
Cc ch thng s dng trong k thut EBSD
- in p gia tc: 5 30 kV
- Cng chm tia in t: 1 -15 nA
- rng ca s WD: 20 mm
NATuan-ITIMS-2007

4- Nhng tnh nng chnh ca k thut EBSD
- Cho php nhn c thng tin v cu trc tinh th hc ca mu trong hin vi in t
qut (SEM): Gin nhiu x thu c l c trng ca cu trc tinh th v c bit l
s nh hng tinh th hc ca vng mu m t xut hin ng nhiu x Kikuchi.
- Ngoi vic xc nh c hng tinh th ca vng c nhiu x (ht tinh th), cn
c th xc nh c cc lch hng cc bin ht, phn bit c s khc nhau
gia cc vt liu khc nhau (pha tinh th), v cung cp thng tin v s hon ho ca
cc tinh th a phng (ht tinh th).
- Khi chm tia c qut trong mt li ngang qua b mt mu a tinh th (k
thut EBSD trong SEM), v hng tinh th c o mi im xy dng c bn
biu l hnh thi, s nh hng v bin ca cc ht tinh th to thnh ca mu.
- S liu t bn ny (gm cc pha, hay ht tinh th) cng c th c s dng
biu l s nh hng u tin (texture) c mt trong vt liu.
Tm li: K thut EBSD hon ton c th thc hin c vic biu din mc
hon ho v nh lng v vi cu trc ca mu.
Hn na, vi cng ngh/k thut hin nay, vic o c v phn tch cc s liu EBSD
c tin hnh rt nhanh chng: gn nh o ngay lp tc sau khi point and click.
NATuan-ITIMS-2007

Minh ho cho thy:
- EBSD Mt cng c xc nh thnh phn, cu trc v nh hng tinh th rt nhanh:
NATuan-ITIMS-2007

Minh ho cho thy:
- EBSD Mt cng c xy dng c bc tranh v cu trc ht/pha tinh th v phn
b nh hng tinh th b mt mu:
+ Cc di Kikuchi
tng ng vi cc
mt phng nhiu x
khc nhau.
+ Ch giao nhau
ca cc di ng vi
trc vng tinh th.
+ S sp xp hnh
hc (cc di b tr
kiu bc-3, -4, )
ph thuc vo i
xng tinh th v
hng tinh th.
NATuan-ITIMS-2007
NATuan-ITIMS-2007

5- K thut chun b mu i vi cc php o EBSD
- Yu cu i vi b mt mu s dng trong k thut EBSD:

+ Nhn bng nh gng.
+ Vng th tch c tn x ngc di b mt mu (dy khong
100 nm) phi l tinh th.
+ Vng th tch ny khng c c bin dng do qu mc (ng
sut d).
- Cc vn thng gp i vi b mt thc hin nhiu x:
+ Bin dng do do nh bng c hc
+ Cc lp ngoi lai (xt)
+ ng sut ni
NATuan-ITIMS-2007

- Do b mt mu thng c to nhn bng bng k thut mi c hc (bt kim
cng) To ra ng sut d trn b mt mu Gy tr ngi cho vic thu gin
EBSD c cht lng tt.
Mi bng bt kim cng
B mt cha ng sut d hoc b ph

hu sau khi tm thc
Vng
ng
sut d
Vng
ng
sut d
Chun b tt b mt mu l k thut mu cht trong vic to ra cc gin

ca cc ng Kikuchi c cht lng tt.
NATuan-ITIMS-2007

Cn phi trnh to ra sut d trn b mt mu trong qu trnh gia cng b mt

bng cc cch sau:
+ Kh sut d bng tm thc su
+ Mi kt hp c-ho hc
+ nh bng bng in
+ Mi ion
+ Ngoi ra c th s dng cc b
mt c ch t khi tinh th,
hoc cc b mt mng mng
c mc, lng ng hay ph
trn cc b mt ca rn.
NATuan-ITIMS-2007

- V d minh ho cht lng gia cng b mt mu ln php o EBSD khi xc nh
hng tinh th ca cc ht tinh th trong si dy Au sau khi mi ion.
nh SEM (in t th cp)

ca u si dy Au 32 mm.
Gin nh hng ca
cc ht tinh th rn men
Bn c tnh b mt ca
cc ht tinh th rn men
Gin cho thy s lch hng

cc bin ht tinh th rn men.
NATuan-ITIMS-2007

- Tuy nhin, trong k thut EBSD, cn phi thc hin vic x l nh nhn c cc
gin ng Kikuchi r nt nht.
nh gc
nh nn
nh sau khi tr nn
(Phn ny s cp n di y)
NATuan-ITIMS-2007

6- L thuyt c s ca EBSD
M u:
- Tn x n hi: khng mt mt nng lng, ch lm lch hng ca in t ti khi
chng va chm vi nhau.
S tng tc gia in t ti vi in trng ca ht nhn nguyn t
ca bia b chiu x.
Kt qu l cc in t b tn x ngc.
Tng tc c th xy ra nhiu ln (tng tc

thc l) khi mt in t tng tc vi nhiu ht
nhn nguyn t ca bia.
NATuan-ITIMS-2007

- Tn x khng n hi: nng lng ca in t ti b mt mt do truyn cho mu.
Gy ion ho cho cc nguyn t trong mu.
Cc in t b phng ra trong qu trnh ion ho: in t th cp (SE) c
nng lng < 50 eV.
Ngoi ra cn gy cc tng tc khc: cc phonon (1-100 eV), cc
plasmon (10 eV),
NATuan-ITIMS-2007

- Tn x ngc: do tng tc khng n hi mt cht (<200 eV) (ch yu sinh ra cc
phonon v plasmon)
Chm in t b thm su vo trong mu (~ 100 nm) v loang
ra theo tt c cc hng
Tng t nh mt ngun in t vi tiu im nh v b
phn k.
NATuan-ITIMS-2007

- EBSD xut hin do nhiu x Bragg: n = 2dsin
Hnh thnh nn cc ng Kikuchi & cc di Kikuchi.
- Mi di Kikuchi c gii hn bi mt
cp ng Kikuchi.
- Gin EBSD l tp hp gm cc di
Kikuchi vi phn b c /x c th:
Cp
ng
Kikuchi
(hkl)
, d
Cp ng Kikuchi
C ch hnh thnh cc di Kikuchi

NATuan-ITIMS-2007

C ch hnh thnh nn cc di Kikuchi
Chm tia in t
Mt phng
nhiu x
Di Kikuchi
Cc nn
nhiu x
Mn hunh quang
Khi U = 20 kV
~ 0.07
~ 0.5o
NATuan-ITIMS-2007

Nhng c trng in hnh trn cc
gin EBSD
Cc trc vng
- Vng v Trc vng trong

cc nh EBSD
+ Vng (Zone) cc mt phng trong
tinh th l tp hp nhng mt/ b mt
ct nhau theo nhng ng song song.
+ Trc vng (Zone axis) l hng
chung ca cc ng song song l cc
giao tuyn ca vng cc mt phng.
Cc ng Kikuchi c
th c xc nh ch s
Ging in t tn x ngc
(EBSP) ca n tinh th Ge c
thc hin 20 kV.
Vng cc mt phng
Trc vng
NATuan-ITIMS-2007

Xc nh cc ch s hkl trn nh EBSP
- iu kin Bragg:
, lu gc chnh l rng ca di
Kikuchi
NATuan-ITIMS-2007

Xc nh cc ch s hkl trn nh EBSP
NATuan-ITIMS-2007

Ch mt t l nh cc e n c mn hnh l gy ra nhiu x do gin
EBSD c chng ln tn hiu nn tr nn l khu quan trong tng cng
tng phn ca gin .
nh cha tr nn
nh tr nn
NATuan-ITIMS-2007

Mt s nh hng ca ch chp nh ln gin EBSD
Gin EBSD chp cc khong cch khc nhau

t vng nhiu x ti detector.
NATuan-ITIMS-2007
Gin EBSD chp cc in th mn hunh quang

khc nhau.
NATuan-ITIMS-2007

- Php bin i Hough l k thut cho php thu c cc tham s ca mt ng
thng do rt thch hp xc nh cc ng/di Kikuchi.
- Bng php bin i Hough, cc ng trong EBSP c chuyn thnh cc im
hay cc vt trong khng gian Hough.
- S dng php bin i Hough o cc hng tinh th ng vi cc di Kikuchi.
NATuan-ITIMS-2007

Php bin i Hough ca mt EBSP
NATuan-ITIMS-2007

Php bin i Hough ca mt EBSP
(Lu c n xm trong php
bin i Hough)
NATuan-ITIMS-2007
2.1. C s ca nhiu x
NATuan-ITIMS-2007

2.4.1. Gii thiu:
S lc lch s
- 1932 James Chadwick khm ph ra ht neutron:
Mn = 1.674928.10-27 kg
Mn ~ 1.001 Mproton ~ 1840 me
= 885 s (~ 15 min) (trong p/ phn r )
n p + e- + e + 0.78 MeV
(e l phn ht neutrino: antineutrino)
Gii Nobel vt l nm 1935.
(Ghi ch: 1930 khm ph ra ht alpha, 1932 khm ph
ra tnh phng x).
James Chadwick: The Nobel Prize

in Physics 1935 "for the discovery
of the neutron.
- 1942: ra i l phn ng ht nhn v t nn mng cho s hnh thnh mt k

thut nhiu x mi - l k thut nhiu x neutron (ND).
- 1945, ln u tin Ernest O. Wollan thc hin c k thut nhiu x ND
l phn ng ht nhn Graphite Oak Ridge (M), v sau cng vi
Clifford G. Shull xy dng nguyn l c s ca ND v p dng thnh cng
cho nhiu loi vt liu khc nhau.
NATuan-ITIMS-2007

- 1950s l giai on c nhiu cng trnh nghin cu thc nghim o c cc thng
s tng tc v hp th ca neutron vi tng nguyn t v ng v.
L thuyt ca tn x neutron vi nguyn t cng c nghin cu y hn
trong giai on ny.
- 1990s: Shull (M) v Bertram N. Brockhouse(Canada) sau ny nhn gii
Nobel vt l nm 1994 v nhng nghin cu pht trin k thut tn x khng
n hi).
- c bit l trong giai on ny, bng
k thut ND tip cn c cch sp
xp vi m ca mmen t trong vt liu.
The Nobel Prize in Physics 1994: (a) Clifford G.

Shull "for the development of the neutron diffraction
technique and (b) Bertram N. Brockhouse "for the
development of neutron spectroscopy.
NATuan-ITIMS-2007

Ngun ntron
1- L phn ng ht nhn.
+ V thnh phn nhit ng ca thng lng neutron trong mt l phn ng
ht nhn c phn b theo nhit ca l gn vi phn b Maxwell-Boltzmann
nn bc sng trung bnh tm l c nh gi bng: () = h(2/mkT)1/2
= 34.9/T(oK)
+ Theo nng lng, bc sng ca ntron c nh gi l: = h/p = 0.28/Ee
(Ee = p2/2m). Sau khi c lm chm li, nhit gn 300K ng vi Ee
= 0.08 eV, v c chn lc thch hp, cc neutron vng tm l c bc
sng so nh c vi tia X: N ~ 1 (0.1 nm), nn c th s dng chng
thc hin nhiu x trong nghin cu cu trc ca cc cht rn c to bi
cc nguyn t hay phn t.
2- Cc ngun phn hch:
S phn r ht nhn trong cc ngun phn hch t nhin gii phng ntron
di dng ht t do Chm ntron c nng lng phn b trong mt di rng:
khng "n sc".
- S dng cc b n sc n tinh th (crystal monochromators ) hoc dng cc
b lc kiu hp th to ra chm tia ntron '"n sc vi xc nh.
NATuan-ITIMS-2007

Mt s c im trong nhiu x ntron
- Chm ntron tng tc yu vi cc ht tch in, tng tc mnh vi ht nhn
nguyn t L cng c tt hn trong vic xc nh v tr proton.
- c bit hn neutron tng tc mnh vi ht nhn v mmen t ca in t, tng
tc vi CR t hn nhiu so vi tia X v in t (ch yu vi lp v in t)ND cng
c u tin s dng trong trng hp mu b ph hy bi bc x tia X, v trong
nhng trng hp i hi c s thm su ln.
- ND cung cp thng tin v cu trc, tnh trt t v tnh i xng trong cc lin kt
nguyn t/phn t CR tng t nh XRD & ED.
- Trong ba phng php nhiu x: XRD, ED, v ND, nhiu x ND l cch duy nht
xc nh cu trc trt t t trong cht rn, v ntron rt nhy vi mmen t.
- Nhng thng tin thu c t thc nghim tn x neutron chm cho php on nhn
v bn cht ca lc ht nhn.
NATuan-ITIMS-2007

- Hai ng dng chnh ca tn x ntron l:
+ ti to li cu trc phn t mt cch tinh t hn sau khi xc nh cu trc
s b trc bng XRD. c bit ND l th mnh nghin cu cc cht
c cu to t cc nguyn t nh, nh hydro, heli hay cc cu trc phn t
hu c, phn t sinh hc v t bo sng (v cha hydro l mt nguyn t
quan trong khi cc lin kt vi hydro l lin kt trng nht trong cc phn t
hu c v sinh hc).
+ c trng cu trc polimer s dng tn x ntrong gc nh (small-angle
neutron scattering, SANS).
- Nghin cu cu trc cht lng:

C 2 cch xc nh hm phn b xuyn tm f(r):
+ S dng XRD v ND t cc cht lng (s dng bc x n sc).
+ M phng my tnh cu trc ca phn t v cc chuyn ng trong cht lng.
NATuan-ITIMS-2007

2.4.2. Thc nghim nhiu x ntron
- Nhiu x neutron c th thc hin trn cc mu l n tinh th, a tinh th hay bt.
- tp trung chm tia ln b mt mu, ngi ta s dng mt h thng hi t quang
hc c bit gm nhiu ng mao qun (polycapillary focusing optics) dn v t
tiu cc tia neutron.
- Detector, thng l mt dy gm nhiu detector ni lin tip theo hnh vng cung
c b tr trong khong gc tn x ca neutron, ~ 10o 160o vi b mt mu.
NATuan-ITIMS-2007

- Detector ghi nhn tia neutron tn x/nhiu x:
C cc loi detector ph bin nh sau:
+ Loi ng m t l (nh 3He Pressurized Gas Tube Proportional Detectors)
v ng m nhp nhy (nh 6Li Scintillation Detectors) c s dng ph
bin nht trc y.
+ Gn y s dng loi si thu tinh nhy neutron (nh Neutron Sensitive
Scintillating Glass Fiber (PUMA) Detectors).
+ Hay loi khuch i hn kn (Sealed Image Intensified Neutron Detectors).
+ Cc loi detector nhiu dy (Multi-wire Detectors),
Hnh nh mt Detector t l kiu ng m kh nhp nhy

NATuan-ITIMS-2007

- Detector ghi nhn tia neutron tn x/nhiu x:
Mt kiu detector Neutron ca NOVA c nhy cao s dng nhiu tm vi knh
MCP (microchannel Plate) gn cht vo mt kt cu v c ht chn khng s
cp, tng t nh kiu thit b nhn ban m ca qun i.
Mi tm MCP n c K ~ 1000x i vi mi neutron c bt (ngha l mi

neutron c ghi nhn to ra mt xung trong 1 nanogiy tng ng vi khong
~1000 electrons.
NATuan-ITIMS-2007

Nguyn l hot ng ca detector nhp nhy
n + 6 Li
He + 3 H + 4.79 MeV
NATuan-ITIMS-2007

Mt s vt liu nhp nhy dng trong cc detector Neutron
Material
Density of
6Li atoms
(cm-3)
Scintillation
efficiency
Photon
wavelength
(nm)
Photons
per neutron
395 nm
~ 7,000
Li glass (Ce)
1.751022
0.45 %
LiI (Eu)
1.831022
2.8 %
470
~ 51,000
ZnS (Ag) - LiF
1.181022
9.2 %
450
~ 160,000
NATuan-ITIMS-2007

Nguyn l hot ng ca cc detector Neutron bn dn
n + 6 Li
He + 3 H + 4.79 MeV
NATuan-ITIMS-2007

ng m t l nhiu si (Multi-Wire Proportional Counter)
Mt dy cc detector ri rc
T nhiu detector si n c b i lp v bc v sp t cnh nhau to

thnh etector ng m t l nhiu si.
NATuan-ITIMS-2007

Gii m in tr ca detector nhiu si
NATuan-ITIMS-2007

B m kiu kh vi di (Micro-Strip Gas Counter)
NATuan-ITIMS-2007

Thc nghim tn x neutron n hi bi vt liu
Tng tc ca neutron vi vt liu
Nguyn l o ca cc
php nhiu x
Neutron cng c
da trn phng trnh
Bragg: 2dsin()=.
NATuan-ITIMS-2007

Thc nghim tn x neutron khng n hi bi vt liu
NATuan-ITIMS-2007

Ph k 3 trc ghi/o tn x neutron khng n hi
NATuan-ITIMS-2007

Results from quantitative phase
analysis using neutron diffraction
(Movie)
NATuan-ITIMS-2007

Mt s kiu nhiu x k neutron
HRPT
Thermal, High Resolution Powder Diffractometer
DMC
Cold, High Intensity Powder Diffractometer
TriCS
Thermal Single Crystal Diffractometer
POLDI
Thermal, Time-of-Flight Strain Scanner
NATuan-ITIMS-2007

HRPT
Nhiu x k bt phn gii cao s dng Neutron nhit
(High Resolution Powder Diffractometer for thermal neutron)
HRPT features
Thermal neutrons (0.9-2.5)
2<165ohigh Q 13 -1
High resolution d/d =10-3
1600-3He detectors (70%
efficiency @1.5) with angular
separation 0.1o
Flexible wavelength,
resolution/intensity
=1.9, 12/24
10mm, Na2Al12Ca3F14
NATuan-ITIMS-2007

DMC
Nhiu x k bt s dng neutron lnh
(Cold Neutron Powder Diffractometer)
detector
radial collimation
sample
sample table
collimation
monochromator shielding
neutron guide
monochromator
NATuan-ITIMS-2007

TriCS
Nhiu x k n tinh th
(Single Crystal Diffractometer)
Monochromator:
te
monitor
secondary
collimation
primary collimation
or
cooled N 2-filter
ct
shutter
collimators
filter
tanzboden (granite)
cradle
(1.5 - 380K)
de
polygon
neutron shutter
(fail safe)
beam reduction
horizontal collimation
de
high energy shutter
c
te
to
borpolyethylen
iron
polyethylen
primary beam stop
monochromator
(Ge311 , C002)
H 2O - scatterer
three 2D detectors,1 single detector

NATuan-ITIMS-2007

Mt mnh v yu ca nhiu x X-ray v
neutron l hin nhin khi bin tn x
neutron v X-ray c th c so snh:
ch trong bng 15.1 s bin i ca tit
din lin kt (coherent cross section)
hoc chiu di tn x ca neutron vi Z
khng monotonic v nh hn bin i
tng ng ca f. do ta c th thy
hydrogen hoc deuterium vi neutron.
Hydrogen c thun li l: chiu di tn
x l m; n cho hng s ln hn cc
nguyn t khc. N c nhng bt li l
tit din khng lin kt , n lm tng
undersirable nn rt ln.
Comparison of radiation probes

NATuan-ITIMS-2007
Superior results from quantitative phase analysis using neutron diffraction

NATuan-ITIMS-2007

Ph k neutron gc nh
NATuan-ITIMS-2007

Ph k neutron phn cc
NATuan-ITIMS-2007

So snh 3 k thut nhiu x
NATuan-ITIMS-2007
Crystal Structure
NATuan-ITIMS-2007

Cac Phuong Phap Nhieu Xa

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HANOI UNIVERSITY OF TECHNOLOGY

INTERNATIONAL TRAINING INSTITUTE FOR MATERIALS SCIENCE

TI LIU THAM KHO CHNH

CHNG 2: CC PHNG PHP NHIU X

2.1. C s ca nhiu x - L thuyt tng qut

CHNG 2: CC PHNG PHP NHIU X

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Mt sng thi gian t + t

Mt sng thi gian t

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S khc x sng hiu theo nguyn l

S nhiu x sng hiu theo nguyn l

CHNG 2: CC PHNG PHP NHIU X

- Nghim ca phng trnh sng phng c dng tng qut:

Hay di dng iu ho (ei = cos + i sin):

trong A l bin sng, l tn s gc, k l vector sng (k l s sng = /v,

x.k = x0.k = const.

CHNG 2: CC PHNG PHP NHIU X

- Nhng trong h to cu, v ng hng (khng ph thuc gc, hay c tnh i

Nghim ca phng trnh sng cu,

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Vi sng ngang, cc phn t dao ng dch chuyn theo phng vung gc vi

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Minh ho v s lan truyn sng in t (phim)

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Hnh nh giao thoa ca 2 ngun sng pht ra t 2 im gn nhau

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Nhiu x qua 1 khe

Nhiu x qua 3 khe

Nhiu x qua 4 khe

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So snh cng cc cc i nhiu x theo s khe

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Ghi ch: sinc(x) = sin(x)/(x)

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Khng gian thc

Khng gian pha

Real: cos(2t) , Imaginary: -sin(2t)

- Nu sng in t c dng iu ho biu

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Nhiu x = tn x + giao thoa

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cng I(s) l hm ca gc lch 2,

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nh cc vt nhiu x ca tia e trn

nh cc vnh nhiu x ca tia e

nh cc vnh nhiu x ca tia X trn a tinh th.

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Xt trng hp khi mi trng tn x c cu to bi cc im ri rc: mi im

Mi tm tn x nh mt ngun pht sng cu th cp. Cc sng cu ny giao

Mi tia tn x i nhng qung ng c di khc nhau trc khi n mt

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S c nhng tia tn x di nhng gc 2hkl no giao thoa hon

khng xut hin cc cc i nhiu x.

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e iax e iax e ibx e ibx

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