1.

1 Phng trnh vn chuyn Boltzmann

V Vn Ti PGS.TS Nguyn Quc Khnh
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Chng 1
L THUYT VN CHUYN BOLTZMANN
Nu kh electron (trong tinh th) trng thi cn bng nhit th tnh cht ca n
c xc nh bi hm phn b lng t Fermi Dirac hay hm phn b c in
Maxwell Boltzmann. Trong trng hp kh electron chu tc dng ca cc yu t bn
ngoi nh in trng, t trng, chnh lch nhit v.v... th n trong trng thi
khng cn bng. Khi s xy ra hin tng lin quan n chuyn ng ca cc
electron dn nh: hin tng dn in, dn nhit v.vCc hin tng gi chung l
hin tng truyn hay hin tng ng hc. Cc hin tng ny c th gii thch bng
thuyt in t kim loi, trong xem in t nh mt kh l tng. Tuy nhin, c
c nhng biu thc nh lng chnh xc ngi ta phi dng phng trnh vn
chuyn Boltzmann, phng trnh ny cho php ta tm c hm phn b trong trng
hp khng cn bng, ngha l khi c tc dng ca yu t bn ngoi nh v ch xt
nhng hiu ng tuyn tnh.
1.1 Phng trnh vn chuyn Boltzmann
Gi s mt electron c vect sng k

, v vect sng ny s thay i di tc dng ca

trng ngoi F

:
dk
F
dt
=

(1.1)
Gi
( )
, , f k r t

l hm xc sut ca mt ht (electron) c vect nh s r

, vect sng k

ti thi im t , v gi n l hm phn b ca ht (electron). u tin, chng ta gi thit
rng, electron khng b tn x v s thay i trng thi l do s tc ng ca ngoi lc
(in trng, t trng, v.v). V vy, sau mt khong thi gian dt , th electron thay
i thnh mt trng thi mi vi v tr r rdt +

v vect sng k kdt +

. T (Hnh 1.1),
chng ta c th tnh ton s thay i trong hm phn b
( )
, , f k r t

trong khong thi
gian dt .
1.1 Phng trnh vn chuyn Boltzmann
V Vn Ti PGS.TS Nguyn Quc Khnh
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Mt ht chim mt trng thi v tr r rdt

v vect sng k kdt

ti thi im t dt
s chuyn thnh trng thi
( )
, , f k r t

sau mt khong thi gian dt (ti thi im t ). Do
, tc thay i ca hm phn b c a ra nh sau:
( )
( )
, , , ,
drift
f k kdt r rdt t dt f k r t
df
dt dt

| |
=
|
\ .



(1.2)
V bn phi ca phng trnh (1.2) c gii thch nh sau. S hng u tin ca v
bn phi s thay i thnh
( )
, , f k r t

sau mt khong thi gian dt (
( )
, , f k r t

tng) v s
hng th hai
( )
, , f k r t

s thay i thnh mt trng thi khc sau mt khong thi gian
dt (
( )
, , f k r t

gim). V ta khng tnh n tn x ca ht nn tc trn biu din
dng lin tc ca ht nn s hng ny c gi l s hng drift.

Hnh 1.1. Qu o electron v s thay i hm phn b. Hm phn b
( )
, , f k kdt r rdt t dt



ti
thi im t dt s tr thnh
( )
, , f k r t

ti thi im t . Hm phn b
( )
, , f k r t

ti thi im t s
thay i thnh mt trng thi khc sau mt khong thi gian dt . S thay i ca hm phn b gy ra
s hng drift.
Khai trin Taylor s hng u tin v bn phi trong (1.2)

( )
, , f k r t

( )
, , f k kdt r rdt t dt



1.2 Gn ng thi gian hi phc
V Vn Ti PGS.TS Nguyn Quc Khnh
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( )
( )
( )
( )
( )
, , , , . . ...
, , . . ...
r
k
f f f
f k kdt r rdt t dt f k r dt k r dt
r t k
f
f k r dt k f r f dt
t
c c c (
= + + +
(
c c c
c (
V + V + +
(
c

(1.3)
y chng ta xc nh k

nh o hm theo thi gian ca k

, v v r =

l vn tc ca
ht. Trong (1.3) ch gi li cc s hng n bc hai v thay vo (1.2), ta c:
.
r
k
drift
df f
k f v f
dt t
c | | (
= V + V +
|
(
c
\ .

(1.4)
V s bin thin theo thi gian ca vect sng k

di tc dng ca lc ngoi F

c
a ra trong (1.1), nn s hng drift c vit li nh sau:
( )
1
. .
r
k
drift
df f
F f v f
dt t
c | | (
= V + V +
|
(
c
\ .

(1.5)
Tri li, mt ht thay i trng thi ca n qua tn x (va chm), v chng ta xc
nh tc thay i trong hm phn b do mt va chm qua
drift
df
dt
| |
|
\ .
. V hm phn b
phi tha mn iu kin cn bng (iu kin trng thi n nh), chng ta c:
0
drift coll
df df
dt dt
| | | |
+ =
| |
\ . \ .
(1.6)
Thay (1.5) vo (1.6), chng ta nhn c:
( )
1
. .
r
k
coll
f df
F f v f
t dt
c | |
+ V + V =
|
c
\ .

(1.7)
Phng trnh ny c gi l phng trnh vn chuyn Boltzmann [2].
1.2 Gn ng thi gian hi phc
Xt mt tinh th ng nht v gi s hm phn b khng ph thuc vo r

. V vy,
hm phn b c vit nh
( )
f k

. Tc thay i hm phn b
( )
f k

bao gm hai s
hng. Tc tng
( )
f k

do s chuyn tt c cc trng thi kh d k'

(ngoi tr k

)
1.2 Gn ng thi gian hi phc
V Vn Ti PGS.TS Nguyn Quc Khnh
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thnh k

, v tc gim
( )
f k

do s chuyn t trng thi k

thnh nhng trng thi k'

kh d khc. Xc nh cc tc chuyn tng ng trn n v thi gian qua
( )
, W k k '


v
( )
, W k k'

, th s hng va chm c vit nh:
( ) ( ) ( ) ( ) ( ) ( ) { }
, 1 , 1
k coll
df
W k k f k f k W k k f k f k
dt
'
| |
( (
' ' ' ' =
|

\ .

(1.8)
y, tha s
( ) ( )
1 f k f k
(
'


ca
( )
, W k k '

biu din xc sut chim electron trong
trng thi u k'

v ca ch khuyt electron trong trng thi cui k

.
n gin, chng ta kho st trng hp mc Fermi nm di y ca vng dn
(thuc vng cm); v vy, cc iu kin
( )
1 f k

v
( )
1 f k'

c tha mn. Xc
nh hm phn b trong cn bng nhit qua
( ) 0
f k

, chng ta c 0
coll
df
dt
| |
=
|
\ .
trong (1.8),
v v vy chng ta nhn c h thc
( ) ( ) ( ) ( ) 0 0
, , W k k f k W k k f k ' ' ' =

(1.9)
H thc ny c gi l nguyn l cn bng chi tit. Thay (1.9) vo (1.8), ta c h thc
sau:
( ) ( ) ( )
( )
( )
0
0
,
k coll
f k
df
W k k f k f k
dt
f k '
(
| |
(
' ' =
|
( ' \ .

(1.10)
Khi thay tng theo k'

bng tch phn, chng ta c:

( )
( ) ( ) ( )
( )
( )
0
3
3
0
,
2
coll
f k
df V
d k W k k f k f k
dt
f k
(
| |
(
' ' ' =
|
( ' \ .

}


(1.11)
vi
3
V L = l th tch tinh th. Khi ngoi lc rt yu v dch chuyn ca hm phn
b so vi gi tr cn bng nhit rt nh chng ta c th vit (hay khai trin theo chui
Taylor)
1.2 Gn ng thi gian hi phc
V Vn Ti PGS.TS Nguyn Quc Khnh
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( ) ( ) ( ) ( ) ( ) ( ) 0 1 1 0
, f k f k f k f k f k = +

(1.12)
Gi thit rng nng lng thay i do tn x l nh v nng lng
( )
k

ca trng thi
u k

rt gn vi nng lng
( )
k '

ca trng thi cui k'

(iu kin ny c gi l
iu kin va chm n hi), chng ta c th t
( ) ( ) 0 0
f k f k' ~

. Trong trng hp ny,
chng ta vit li (1.11):
( )
( )
( )
( )
( )
( )
( )
( ) ( )
( )
1
3
1 3
1
1 0
, 1
2 coll
f k
df V
f k d k P k k
dt
f k
f k f k f k
k k

(
| |
(
' ' =
|
( ' \ .

(1.13)
( )
k

c gi l thi gian hi phc ca va chm
( ) ( )
( )
( )
( )
1
3
3
1
1
, 1
2
f k
V
d k W k k
k f k
(
(
' ' =
( '

}


(1.14)
v l mt hm ca vect sng electron k

, nn cng l mt hm theo nng lng.

Phng php gn ng ny c gi l phng php gn ng thi gian hi phc.
Ta xt trng hp h electron nm trong trng thi kch thch v ti 0 t = ta ngt
trng kch thch, h electron s dn tr li trng thi cn bng. Qu trnh tr li trng
thi cn bng gi l qu trnh hi phc. T phng trnh Boltzmann (1.7) v phng
trnh (1.13), ta c:
0
coll
f f f df
t dt
c | |
= =
|
c
\ .
(1.15)
n gin chng ta gi thit rng thi gian hi phc l khng i, v v vy chng
ta nhn c
( )
0 0
0
exp
t
t
f f f f

=
| |
=
|
\ .
(1.16)
1.2 Gn ng thi gian hi phc
V Vn Ti PGS.TS Nguyn Quc Khnh
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vi ( )
0
0 t
f f
=
l s dch chuyn ca hm phn b t cn bng nhit ti thi im 0 t = .
Kt qu trn m ch rng, hm phn b l hm m vi thi gian khng i gn gi tr
cn bng nhit sau khi ngt trng ngoi ti 0 t = .
Khi s dng phng php gn ng thi gian hi phc, th phng trnh vn
chuyn Boltzmann c vit nh sau:
0
1
. .
r
k
f f f
F f v f
t
c
+ V + V =
c

(1.17)
Tnh ng nht trong khng gian dn n 0
r
f V =

v trng thi dng dn n 0

f
t
c
=
c
.
Do , chng ta nhn c
1
1
.
k
f
F f

V =

(1.18)
V khi trng ngoi c p vo theo hng x th (1.18) gin c thnh
1 x
x
f
f F
k
c
=
c
(1.19)
Nng lng ca electron l mt hm ca vect sng c dng
2 2
*
2
k
m
=

cho mt electron
vi khi lng hiu dng ng hng
*
m , v vn tc ca ht theo hng x c dng
*
x x
k m v = . Do , chng ta nhn c
1 x x x
x
f f
f F v F
k



c c c
= =
c c c
(1.20)
Khi chng ta s dng h thc
0 1
f f f = + v
0 1
f f trong phng trnh (1.20), th
chng ta c th tnh gn ng n nh sau:
0
1 x x
f
f v F

c
=
c
(1.21)
Khi chng ta tha nhn tn x l tn x n hi v thi gian hi phc l mt hm ca
nng lng , th ln ca thi gian hi phc khng thay i sau s kin tn x.

1.3 linh ng v tnh dn in
V Vn Ti PGS.TS Nguyn Quc Khnh
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Thay (1.21) vo (1.14), th thi gian hi phc
( )
k

c din t nh sau:
( )
( )
( )
( )
( )
( )
3
3
3
3
1
, 1
2
, 1 cos
2
x
x
k V
d k W k k
k
k
V
d k W k k

| | '
' ' =
|
\ .
' ' =
}
}

(1.22)
vi
x
k v
x
k' l cc thnh phn vect sng electron k

v k'

dc theo hng lc ngoi

(thnh phn x ) trc v sau tn x, v l gc gia k

v k'

.
Trong trng hp bn dn suy bin, nguyn l cn bng chi tit nhn c t (1.8)
nh sau
( ) ( ) ( ) ( ) ( ) ( ) 0 0 0 0
, 1 , 1 W k k f k f k W k k f k f k
( (
' ' ' ' =


(1.23)
Dng h thc ny, th thi gian hi phc ca bn dn suy bin c a ra bi
( ) ( )
( ) ( )
( )
( )
( ) ( )
0
0
3
0 3
0
1 1
, 1 1
1
1
, 1 1
1 2
x
k x
x
x
k
W k k f k
k
k f k
k V
d k W k k f k
k
f k

'
| | '
(
' ' =
|

\ .
| | '
(
' ' ' =
|

\ .

(1.24)
Phng trnh trn gin c thnh (1.22) cho trng hp bn dn khng suy bin khi
chng ta cho
( ) 0
1 f k

v
( ) 0
1 f k'

. C th ch ra rng khi trng thi cui c

chim bi mt electron,
( ) 0
1 0 f k' =

, th s bin i (tn x) khng c php [2].

1.3 linh ng v Tnh dn in
Khi thi gian hi phc c dn ra theo nng lng electron hay vect sng electron,
th linh ng v tnh dn in c tnh ton nh sau.
Khi in trng p vo theo hng x , chng ta c th vit
x x
F eE = ; t (1.12) v
(1.21) a ra h thc sau:
( ) ( )
0
0 x x
f
f k f k eE v

c
= +
c

(1.25)
1.3 linh ng v tnh dn in
V Vn Ti PGS.TS Nguyn Quc Khnh
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Do , mt dng theo hng x c dng nh sau:
( )
( )
( ) ( )
2
3 3 2 3 0
0 3 3 3
2
4 4
2
x
x x x x
e E f e
J e v f k d k v f k d k v d k

c
= =
c
} } }

(1.26)
vi 2 l do s suy bin spin v
*
/
x x
v k m = . Hm
( ) 0
f k

l hm phn b Fermi Dirac

hay hm phn b Boltzmann, l mt hm theo nng lng
( )
k

. V l mt hm chn
theo k

, nn
( ) 0 x
v f k

l mt hm l theo
x
v . Tch phn theo
x
dk ly t n +, nn
s hng u tin trong (1.26) bng khng, v ch cn li s hng th hai
2
2 3 0
3
4
x
x x
e E f
J v d k

c
=
c
}

(1.27)
Kt qu ny c gii thch t (Hnh 1.2).

Hnh 1.2. S thay i hm phn b di tc dng ca in trng. Trong khng gian k

hm phn b
dch chuyn nh dc theo hng ca trng.
Khi khng c in trng, hm phn b trng thi trong cn bng nhit ng hng
trong khng gian k

v do dng c cng ln theo mi hng dn n trit tiu

ln nhau v dng tng cng bng khng. Khi in trng p vo, hm phn b c
a ra bi
0 1
f f f = + v c thay th bi
1
f theo hng ca in trng, dn n kt
qu l dng t l vi dch chuyn dc theo hng in trng. S dng mt
electron n
1.3 linh ng v tnh dn in
V Vn Ti PGS.TS Nguyn Quc Khnh
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( )
3
0 3
2
2
n f d k

=
}

(1.28)
(1.27) c vit li nh sau:
( )
2 3 0
2 3
2
0 0
2
3 3
0 0
1 x
x
x
x x
B
df
v d k
v f f d k
e nE
d
J e nE
k T
f d k f d k

= =
}
}
} }

(1.29)
(1.29) nhn c qua vic s dng cc h thc sau:
( )
( )
0
/
1
1
F B
k T
f
e

=
+
(1.30)
( )
0
0 0
1
1
B
f
f f
k T
c
=
c
(1.31)
V s hng ( )
0 0
1 f f trong tch phn (1.29) l hm theo nng lng , nn chng
ta din t n nh ( ) . Ch
3
x y z
d k dk dk dk =

, chng ta c
( ) ( ) ( ) ( )
2 3 2 3 2 3 2 3
1
3
x y z
v d k v d k v d k v d k = = =
} } } }

(1.32)
Tch phn theo
3
d k

thay i thnh tch phn theo thng qua s dng h thc

2 2 *
/ 2 k m = . Khi , chng ta nhn c
( )
3/ 2
*
3 2 1/ 2 1/ 2
3
8
4
2
m
d k k dk d A d

= = =

(1.33)
Trong phng trnh trn, khi lng hiu dng
*
m l khi lng mt cc trng thi
thay cho khi lng hiu dng ng hng (v hng), v c k hiu
*
d
m . Trong cc
cht bn dn, chng hn nh Ge v Si, chng ta bit rng cc vng dn c cu trc
nhiu valley v b mt nng lng khng i c din t qua mt elipxoit vi khi
lng hiu dng ngang
t
m v khi lng hiu dng dc
l
m . Trong trng hp nh vy
khi lng mt cc trng thi
*
d
m c dn ra
( )
1/3
2 *
t l d
m m m . Thay h thc ny,
(1.32) v (1.33) vo (1.29), chng ta c
1.3 linh ng v tnh dn in
V Vn Ti PGS.TS Nguyn Quc Khnh
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( )
3/ 2
0 0
2
0
*
1/2
0
0
1
2
3
x
x
B
f f d
e nE
J
k Tm
f d

=
}
}
(1.34)
Tip theo chng ta thc hin tnh ton (1.34) cho hai trng hp.
(a) Kim loi v bn dn suy bin. Trong trng hp ny, nng lng Fermi
F
nm
trong vng dn, v s hng ( )
0 0 0
/ 1 /
B
df d f f k T = c gi tr ln gn nng lng
Fermi. Do ,
0
/ df d c th c tnh gn ng qua hm - Dirac. Thm vo ,
cc h thc sau
( )
( )
0
0
1
0
F
F
f
f


~ s
~ >

ng cho hm phn b Fermi, v do chng ta nhn c
( ) ( )
( ) ( )
3/ 2
0 0
0
3/ 2 3/2 0
0
1
1
B
F F
f f d
k T
df
d
d

= ~
}
}
(1.35)
1/ 2 1/ 2 3/ 2
0
0 0
2
3
F
F
f d d

= =
} }
(1.36)
Thay (1.35) v (1.36) vo (1.34), chng ta nhn c
( )
2
*
F
x x
ne
J E
m

= (1.37)
y ( )
F
l thi gian hi phc ca electron ti
F
= (hay ti b mt Fermi). T
(1.28), (1.33) v (1.36), ta suy ra c mi lin h gia nng lng Fermi
F
v mt
electron n
( )
2
2/3
2
*
3
2
F
n
m
=

(1.38)
1.3 linh ng v tnh dn in
V Vn Ti PGS.TS Nguyn Quc Khnh
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(b) Bn dn khng suy bin. Vi cc bn dn khng suy bin, chng ta c
0
1 f v
0
1 1 f ~ , v c th tnh gn ng
0
exp exp exp
F
F
B B B
f A
k T k T k T
| | | | | |
=
| | |
\ . \ . \ .
(1.39)
Lc (1.34) gin c thnh
3/ 2
0
2
0
*
1/ 2
0
0
2
3
x
x
B
f d
e nE
J
k Tm
f d

=
}
}
(1.40)
Ta tnh tch phn sau bng phng php tch phn tng phn
3/ 2 3/2 1/ 2 1/ 2
0 0 0 0
0
0 0 0
3 3
2 2
B B B
f d k T f k T f d k T f d

= + =
} } }
(1.41)
Thay (1.41) vo (1.40), ta c h thc sau:
3/ 2
0
2
0
*
3/ 2
0
0
x
x
f d
e nE
J
m
f d

=
}
}
(1.42)
Ta c th vit (1.42) gn li nh sau:
2
* x x
e n
J E
m

= (1.43)
vi l thi gian hi phc trung bnh ca ( ) .
3/ 2
0
0
3/ 2
0
0
f d
f d

=
}
}
(1.44)
Khi chng ta xc nh vn tc trung bnh ca electron
x
v c in trng c t
theo hng x th
x
v cng c tnh theo t (1.44). Vn tc trung bnh thng
1.3 linh ng v tnh dn in
V Vn Ti PGS.TS Nguyn Quc Khnh
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c xem nh vn tc drift. Bi v electron ng gp cho dng qua chuyn ng drift
dc theo hng ca in trng. Thi gian trung bnh gia cc s kin tn x (cc va
chm) hay tc tn x (tc va chm) c dn ra qua gi tr trung bnh ca thi
gian hi phc .
S dng mt electron n , mt dng c vit nh sau:
( )
x x
J n e v = (1.45)
T (1.43) v (1.45), vn tc drift c dng
* x x x
e
v E E
m

= (1.46)
Vi l vn tc electron trung bnh (vn tc drift) di tc dng mt in trng n
v v a ra s o lng linh ng; v n c gi l linh ng electron. linh
ng ny thng c xem nh linh ng drift phn bit vi linh ng Hall.
T (1.46), biu thc linh ng c dng:
*
e
m

= (1.47)
v khi chng ta xc nh tnh dn (tnh dn in) qua
x x
J E = (1.48)
th biu thc ca tnh dn c a ra nh sau:
2
*
ne
ne
m

= = (1.49)
Nhng h thc trn cng tha mn cho cc bn dn suy bin bng cch thay ( )
thnh ( )
F
[2].