I.

PHNG TRNH SCHRODINGER CUA IEN T TRONG

TRNG TINH THE
H+ = E+
) R ( V ) R , r ( U
r
e
2
1
M 2 m 2
H
o i
i i j
ij
2
2
2
2
i
i
2
o o
=
o
o
+ + + V V =


ong nang
cua cac
electron
ong
nang
cua cac
loi
nguyen
t
The nang
tng tac
gia cac
electron
The nang
tng tac
gia cac
electron va loi
nguyen t
The nang
tng tac
gia cac loi
nguyen t
Coi cac hat nhan ng yen khi xet chuyen ong cua cac
electron va coi cac electron tao ra mot trng trung bnh khi xet
chuyen ong cua cac hat nhan ham song co the viet
c di dang:
) R , r ( ). R ( ) R , r (
i i o o o
+ u =

A. PHEP GAN UNG OAN NHIET

Khong the giai bai toan tong quat va chnh xac.
Cac phep gan ung :
Phep gan ung oan nhiet
Phep gan ung mot electron
Phng trnh cua he nhieu hat, khong the giai tong quat
va chnh xac Giai gan ung.
Phng trnh Schrodinger c tach thanh hai phng trnh:
Phng trnh cho cac loi nguyen t:
) R ( . E ) R ( ) R ( V
M 2
o
2
2
o o o
o
o o
u u

=
(

+ V

Phng trnh cho cac electron:

) R , r ( ). R ( E ) R , r ( ) R , r ( U
r
e
2
1
m 2
i e i
i
i
i j ij
2
2
i
2
o o o o
+ = +
(
(

+ + V

2. PHEP GAN UNG MOT IEN T
KHAI NIEM VE TRNG T HP
Trng do cac electron khac gay ra tai v tr cua electron th i

=
= O
i j
ij
2
i i
r
e
2
1
) r (

| |

= + O + V
i
i i i i i
2
i
i
2
H ) r ( V ) r (
m 2

Nghiem cua phng trnh Schrodinger co the viet:
[
+ = + + = +
i
i i 2 2 1 1 i
) r ( )... r ( ). r ( ) r (

Suy ra he phng trnh oc lap dang:
) r ( E ) r ( ) r ( U
m 2
i i i i i i i
2
i
2

+ = +
(

+ V
) r ( V ) r ( ) r ( U
i i i i i

+ O =
Phng trnh Schrodinger cua mot electron trong tinh the
) r ( E ) r ( ) r ( U
m 2
2
2

+ = +
(
(

+ V
hamBloch ) r ( U ) R r ( U = = +

3 3 2 2 1 1
a n a n a n R

+ + =
i
r

Ham song cua electron trong trng the tuan hoan co dang
HAM SONG CUA ELECTRON
TRONG TRNG THE TUAN HOAN
Goi la toan t tnh tien. Ta co the viet ham Bloch di
dang toan t:
) n ( T

) n r ( U ) r ( U ) n ( T

n r

+
Nh vay cac v tr va tng ng nhau ve phng dien
vat l Ham song co the viet di dang:
r

n r

+
) r ( C ) n r (
n

+ = + +
C
n
: tha so.
( ) song ham cua dul mo so hang r = = +

} }
+

+

+ + = + + + + dr ) r ( ). r ( C dr ) n r ( ). n r (
*
2
n
*

ieu kien chuan hoa:
1 dr ) r ( ). r (
*
= + +
}
+


1 C
2
n
=
n k i
n
e C

=
k

: vect song, th nguyen cm

-1
) r ( e ) n r ( ) r ( . T

n k i

+ + + = + =
) r ( e ) n r (
n k i

+ = + +
t toan cua rieng ham ) r ( = +

T

t toan cua rieng tr e

n k i
=

) r ( TH ) r ( H e ) n r ( H ) r ( HT : Ma
n k i

+ = + = + + = +
Toan t va giao hoan vi nhau Chung co chung he
ham rieng.
) r ( . e ) r ( e . e . e ) n r ( e
r k i n k i n k i r k i ) n r ( k i

+ + +
+
= = +
) r ( . e ) r ( u at
r k i
k

+ =

) n r ( . e ) n r ( u
) n r ( k i
k

+ + = +
+
) r ( u ) r ( e . e . e
k
n k i n k i r k i

= + =

hamBloch ) r ( U ) R r ( U
k k
= = +

hay
r
Song chay e
ikr
vi
) ( ) ( r u R r u
k k

= +
NANG LNG ELECTRON TRONG TINH THE
Ham song la mot ham cua k nen tr rieng E cua Hamiltonian
(nang lng cua he) cung phu thuoc vao k :
) k ( E E

=
E la mot ham chan cua k : E(-k) = E(k)
TNH CHAT CUA HAM
) k ( E E

=
Thay ham Bloch vao phng trnh Schrodinger ta co:
( ) ( ) ( ) ( ) ( ) r u k E r u r U k i
m 2
k k
2
2

=
(

+ + V
Lien hp phc:
( ) ( ) ( ) ( ) ( ) r u k E r u r U k i
m 2
*
k
*
k
2
2

=
(

+ V
oi dau cua :
k

( ) ( ) ( ) ( ) ( ) r u k E r u r U k i
m 2
k k
2
2

=
(

+ V
( ) = r u Thay
*
k

( ) r u
k

) k ( E ) k ( E

=
Vay nang lng cua ien t trong tinh the la mot ham chan
cua k.
Khi k ~ 0 th E(k) ~ k
2
.
E(k) la mot ham tuan hoan vi chu ky cua mang ao.
) k ( E ) G k ( E

= +
3 3 2 2 1 1
b l b l b l G

+ + =
) r ( e ) n r (
k
n k i
k

+ = + +
G k ' k Thay

+ =
( ) n k i n G i n k i n G k i n ' k i
e e . e e e

= = =
+
ij j i
2 b . a to =

n . G

= (n
1
h + n
2
k + n
3
l).2t = 2tn , vi neZ
1 e
n . G i
=

( ) n k i n G i n k i n G k i n ' k i
e e . e e e

= = =
+
Do tnh chat nay, ngi ta thng gii han viec nghien cu s
phu thuoc cua E theo k trong trng hp mot chieu trong khoang:
Trong khong gian k ba chieu, mien gii han o, c goi la
vung Brillouin th nhat, la o nguyen to Wigner - Seitz cua
mang ao.
a
k
a
t
s s
t

) k ( E ) G k ( E

= +
Trong cac vung Brillouin:
E la ham a tr cua k. ng vi mot gia tr cua k co vo so
gia tr cua E trong tng vung. Do o phai co them ch so n
ac trng cho gia tr khac nhau cua vung.
ac trng E
n
(k) n : ch so vung.
Tap hp cac vung nang lng ng vi n khac nhau
xac nh cau truc vung nang lng cua chat ran.
A. GIAI PHNG TRNH SCHRODINGER BANG PHNG PHAP
NHIEU LOAN
I . Phep gan ung electron t do
* Bai toan khong nhieu loan c mo ta bi phng trnh cua electron
t do:
) r ( E ) r (
m 2
o o o
2
2

+ = + V
CAU TRUC VUNG NANG LNG CUA CHAT RAN
Nghiem cua phng trnh khi o:
m 2
k
) k ( E
2 2

=
* Nhieu loan trong phep gan ung nay la the nang cua trng
tinh the U (r)
Electron t do c mo ta bi song chay dang
a
n
2
k
t
=

t
=
r k i
Ce ) r (

=
Ham song truyen trong moi trng co tnh tuan hoan (tinh the
). Do o se co phan xa Bragg khi thoa man ieu kien
2dsinu = n
Khi electron chuyen ong vuong goc vi mat phang nguyen t
u = 90
0
va d = a, phng trnh Bragg thanh
x
a
cos 2 e e
x
a
i x
a
i
t
= + = +
t

t
+
x
a
sin 2 e e
x
a
i x
a
i
t
= = +
t

Xac suat tm thay electron ty le vi

2

Khi electron co k thoa man th song tng ng vi
chung se phan xa tren mat nguyen t .
a
m k
t
=
Song ti va song phan xa co the to hp vi nhau tao nen
song ng doc theo chieu vuong goc vi cac mat nguyen t
ang xet.
Gia s cac song truyen tren phng cua truc 0x, co 2 cach to
hp:
x
a
cos 2 e e
x
a
i x
a
i
t
= + = +
t

t
+
The tuan hoan mot chieu
Cac electron tap trung
quanh cac ion + tai x = 0, a,
2a, ...
1 x
a
cos ~
2
2
=
t
+ =
+ +
Vi song chay:
~ * = e
i
. e
-i
=1
x
a
t
x
a
t
co the tm thay ien t tai moi ni trong tinh the.
Vi song ng:
Song
+
:
cos = 1 = nt; n e Z
x
a
t
x
a
t
x = na
cac electron co xu
hng tap trung
gia cac ion +.
1 x
a
sin ~
2
2
=
t
+ =

Song
-
:
sin = 1 = (2n+1) ; n e Z
x
a
t
x
a
t
2
t
x = (2n+1)
2
a
...
2
a 5
,
2
a 3
,
2
a
x =
Hai cach sap xep tren phai tng ng vi cac nang lng
khac nhau.
Do song ng khong truyen nang
lng nen van toc nhom:
NHAN XET
a
m k
t
=
+ Nang lng cua electron trong tinh the b gian oan khi
Cac vung nang lng c phep xen ke gia cac vung cam
nang lng.
a
m k
t
=
+ Vi hnh thanh song ng .
a
m k
t
=
0
1
= = =
dk
dE
dk
d
v
g

e
ham E ( k ) at cc tr tai:
Nang lng cua electron trong tinh
the
Trong pham vi mot vung, nang lng cung gian oan. Vi tinh
the kch thc L th k nhan gia tr gian oan cach nhau mot
lng
L
2t
Xet tinh the dang lap phng trong khong gian k canh
a
2t
Goi N la so gia tr c phep
cua k trong khong gian k th:
3
2
2
a
V
L
2
a
2
N =
|
.
|

\
|
t
|
.
|

\
|
t
=
N = so nguyen t co trong tinh the = so mc nang lng co
trong mot vung nang lng.
Vung nang lng co be rong khoang 1eV th khoang cach gia
2 mc lien tiep khoang 10
-22
eV Nang lng trong mot vung
co the xem nh lien tuc.
Nang lng cua electron t do
+ Khi k ~ 0 , . Cac electron co bc song rat dai khong
cam thay s thay oi tuan hoan cua trng the nang cua tinh
the :
E ( k ) co dang nh cua electron
t do, ngha la:
k ~ 0 , E(k) ~ k
2


* Phng trnh cho bai toan khong nhieu loan c lay la phng
trnh cua electron trong nguyen t
) r ( E ) r ( ) r ( V
m 2
a a a
2
2
=
(
(

+ V

* The nang cua trng tinh the U (r)
c xem la nhieu loan trong phep
gan ung nay.
II. Phep gan ung lien ket manh
trong o V (r) la the nang cua
electron trong nguyen t
Phep gan ung lien ket manh hai nguyen t
S phu cua cac ham song lam tach cac trang thai :
Trang thai hut: mat o electron gia cac nguyen t cao
hn , chan nhieu hn
Trang thai ay: mat o electron gia cac nguyen t nho
hn , chan t hn.
2 nguyen t Na
Khoang cach gia hai nguyen t
N
a

n
g

l

n
g

hut
ay
Na+Na
Na
2

5 nguyen t Na
Khoang cach gia hai nguyen t
10
23
nguyen t Na
Vung nang
lng gom cac
mc nang
lng sat nhau
Phep gan ung lien ket manh N nguyen t
Khao sat nh tnh
Gia s ban au co N nguyen t c sap xep mot cach
tuan hoan nhng kha xa nhau Bo qua tng tac gia
chung.
Moi nguyen t co nang lng cua mot nguyen t rieng
biet.
He nguyen t nay co cac mc nang lng giong nh
cua mot nguyen t, nhng moi mc co o suy bien bac
N.

+ Dch chuyen cac nguyen t lai gan nhau e tao thanh tinh the
cac mc nang lng tach ra giam suy bien cua cac
mc. N mc trung nhau trc ay tach ra tao thanh vung nang
lng. Tuy theo mc o tach cua cac mc ma ta co o rong
cua cac vung nang lng khac nhau.
+ Cac vung co the chong len nhau mot phan, co vung nang
lng c phep va co vung cam. Moi vung nang lng co N
mc. Moi mc cha toi a 2 ien t.
+ Vung nang lng cao nhat co cha ien t goi la vung hoa
tr.
Khi nguyen t xa nhau, mc nang lng cua ien t xac
nh va ien t nh x trong nguyen t AE = 0 t
.
Thi gian cac ien t ton tai tren cac mc o la vo
han.
Khi nguyen t tien lai gan nhau e tao thanh tinh the, mc
nang lng cua ien t b tach ra AE tang tao thanh
vung t giam.
Thi gian cac ien t ton tai tren cac mc o la hu
han va cac ien t co the di chuyen t nguyen t nay
sang nguyen t khac.
+ o rong cac vung nang lng c xac nh nh nguyen l
bat nh:
AE. t ~

Ket qua t tnh toan nh lng

Khi tao thanh tinh the chat ran, mc nang lng E
a
cua nguyen
t rieng biet do tng tac b dch xuong mot lng C.
C = hang so khong phu thuoc k.
Mc nguyen t trong tinh the m rong thanh vung nang lng
trong o nang lng cua ien t thay oi tuan hoan theo k va la
mot ham chan:
E ( k) = E (-k)
va nam trong khoang:
E
min
= E
a
C 6A
E
max
= E
a
C + 6A
Vi A = gia tr cua tch phan trao oi phu thuoc vao mc o phu
nhau cua cac ham song nguyen t va nang lng nhieu loan.
o rong cua mot vung nang lng:
AE = E
max
- E
min
AE = phu thuoc vao o ln cua tch phan trao oi. Cac mc
nguyen t co nang lng cang cao th ham song cua cac ien
t phu nhau cang nhieu, tc la A cang ln.
Gia cac vung nang lng c phep la cac vung cam nang
lng. Khi nang lng tang, o rong cua cac vung cam giam.
Khi thay oi nhiet o cua tinh the, nen hay keo dan tinh the,
khoang cach gia cac nguyen t trong tinh the thay oi
mc o phu nhau cua cac ham song thay oi A thay oi
o rong cua cac vung nang lng hay vung cam eu hay
oi.
Vung
nang
lng
trong
chat
ran
Mc
nang
lng
trong
nguyen
t
S hnh thanh vung nang lng trong chat ran
V +

(
=

2
2
2m
U x x E x ( ) ( ) ( ) + +
trong o a = a + b
GIAI PHNG TRNH SCHRODINGER
PHNG PHAP PENNEY - KRONIG
Trng hp the nang cua trng tinh the co dang n gian:
, 0
0
( )
0,0 '
U b x
U x
x a
s s

s s
Phng trnh Schrodinger tach thanh hai cho hai mien
V

=
2
2
2
2
2
0 ( )
( )
( ) x
m U E
x
o

V =
2
1
2
1
2
0 ( ) ( ) x
mE
x

( )
( ) ( )
( ) ( )
{
2
2
2
1 1
2
0 2
2 2
2
2
0
2
0
mE
x x
m U E
x x
o
o
|
|
=
A + =

A =
=

Gii (I1):
( ) ( )
2
1 1
0 x x o A + =
nghim tng qut:
1
i x i x
Ae Be
o o

= +
t:
( ) ( )
2
1 1
2 2 2 2
(1) 0
x x
x x
x e x e
e e i



o o o
= A =
+ = = =
1 1
;
i x i x
e e
o o

+
= =
Gii (II2): ( ) ( )
2
2 2
0 x x | A =
t:
( ) ( )
2
2 2
2 2 2 2
2 2
(2) 0
;
x x
x x
x x
x e x e
e e
e e


| |

| | |

+
= A =
= = =
= =
nghim tng qut:
2
x x
Ce De
| |

= +
V hai phng trnh m c 4 n A,B,C,D nn gii
c ta buc phi c iu kin bin l iu kin lin
tc ca cc hm sng v o hm ca chng ti x = 0
v x = a
( ) ( )
( ) ( )
( ) ( )
( ) ( )
1 2
, ,
1 2
, ,
1 2
, , , ,
1 2
0 0 ; (1)
0 0 ; (2)
; (3)
; (4)
a a
a a




=
=
=
=
(1) A+B = C+D (a)
(2) ioA - i o B = |C - |D (b)
Theo tnh cht hm Block:
( ) ( ) ( ) ( )
( )
( )
2 2 2 2
( )
ika ika
x a
ika x a
x a x e x x a e
e Ce De
|
|

+ = =
= +
T (3) suy ra:
T (4) ta c:
, ,
i a i a ika b b
Ae Be e Ce De
o o | |
(
+ = +

(c)
, ,
i a i a ika b b
i Ae i Be e Ce De
o o | |
o o | |

(
=

(d)
, ,
, ,
i a i a ika b b
i a i a ika b b
A B C D
i A i B C D
Ae Be e Ce De
i Ae i Be e Ce De
o o | |
o o | |
o o | |
o o | |


+ = +

(
+ = +

(
=

T (a),(b),(c),(d) ta c h 4 phng trnh 4 n s sau :

0 =
1 1 -1 -1
i -i -
, ,
ia -ia ika -b ika b
e e -e e -e e
, ,
ia -ia ika -b ika b
ie -ie -e e e e
h phng trnh trn c nghim khng tm
thng, th nh thc ca chng phi bng
khng:
( )
( ) ( )
( )
( )
( )

b -b b -b
2 2
e -e e -e -
, ,
cos ka = sin a + cos a
2 2 2
Hay c th vit:
( )
( )
( )
( )
( )
( )
2 2
-
, ,
cos ka = sh b sin a +ch b cos a
2
(e)
Tnh nh thc, ket qua:
Viec tnh toan tren kha phc tap, Penney va Kronig a giai gan
ung bang cach giam o rong cua hang rao the cho b 0
va tang o cao cua the U
0
sao cho bU
0
= const.
Goi T la o trong suot T cua hang rao the oi vi ien t
co nang lng E = h s truyn qua:
( )
2
2
0
0
b m U E
T T

= e
Vi Uo>>E, T~
( )
2
2
0
b m U
e
|
|
.
|

\
|
b mU 2
b 2
0

T = T
0
exp
|
|
.
|

\
|
b mU 2
b 2
0

U
o

( ) ( )
0 0
2 2
b b
b m U E b bm U | | = =
Khi b0, a= a
,
+b a
,

,
0
2 ,
2 ma p
P U b b b
a
| = =
t:
V gi U
o
b= const, nn P = const v khi b tin v 0
th |b tin v 0.
Khi b0 sh(|b) |b
Uo 0 ; o/|<<1
( )
2
2 2
, ,
2
( )
2 2 2 2
b
P b P
sh b b
b a b a
|
| o |
| |
o| o o o o

~ = = =
Khi b 0 th ch(|b) 1, do b 0 v U
o

sao cho U
o
b = const th phng trnh (e) tr thnh:
( )
( ) ( )
,
, ,
,
sin
cos cos
a
P a ka
a
o
o
o
+ =
PHNG PHP O TH
( )
( )
,
,
,
sin
cos
a
a
a
o
o
o
+
( )
,
cos ka
t v tri ca (1) l hm F(oa
,
)=F(E)
t v phi ca (1) l hm f(ka
,
)
* Trc tin ta dng th F(E). Sau cho
trc gi tr ca ka
,
ta tnh c f(ka
,
), ri v ng
thng f(ka
,
) song song vi trc hanh.
* T giao im ca ng thng ny vi ng
F(E) ta h ng thng vung gc vi trc hanh ri
xc nh nghim E(k) ng vi ka
,
chn.
* T th ta nhn
thy:hanh giao
im ca cc ng
vi ng F(E) ch
tp trung vo mt s
vng nht nh.
Cc vng nht nh ny l vng nng lng hay
dy nng lng. Xen k cc vng nng lng l cc
vng cm hay khe nng lng, ni m E khng nhn
gi tr no ti cc vng ny.
Do ph nng lng ca in t trong
trng tun han c cu trc vng.
E l hm tun han theo s sng k vi chu
k (2t/a).
E(k)=E(k+ 2t/a)
Gi tr E tha mn
vi mt gi tr ka
no , th E cng
s l nghim ca
nhng phng trnh
vi (ka+2tn).
MOT VAI TRNG HP RIENG
1/ Khi P: h th nng khng trong sut, in t
lin kt rt mnh vi ht nhn:
oa
,
0
Nn F(0) ~P+1
Nn F( oa
,
) gim rt nhanh theo oa
,
suy ra rng
ca cc vng nng lng gim, vng cm tng rt
v dng cc mc nng lng ca nguyn t ring
bit.
2/Khi P0: h th nng trong sut i vi
in t (5) tr thnh:
( )
( )
, ,
cos cos a ka o =
o c th nhn mi gi tr E c th nhn
mi gi tr khng cn vng cm nng
lng in t c th xem l han tan t
do.
( ) ( )
1 cos
n
n n n
E A B ka = +
T cng thc E
n
ny , mt ln na ta c th
kim li tnh cht ca hm E nh sau:
* E l hm tun han theo k vi chu k l 2t/a.
* E l hm chn ca k , n ng vai tr ch s
vng.
2
0 n
2
0 n
n
P
2
A B ; n
P
2
1 A A =
|
.
|

\
|
=
-t/a t/a
-t/a t/a
cu trc vng nng lng suy ra t m hnh Penny-Kronig
Vect song k
Ge
Si
GaAs
CAU TRUC VUNG NANG LNG
CUA Ge , Si VA GaAs
KHOI LNG HIEU DUNG
1. Vi electron t do, di tac dung cua ngoai lc F no chuyen
ong theo quy luat:
F = m a
trong o m la khoi lng va a la gia toc cua electron.
Trong tinh the :
F + F
noi
= m a
F
noi
kho xac nh
Trong mot so trng hp nao o (chang han khi k ~ 0 tc la
gan cac cc tr cua vung nang lng , o co s phu thuoc
E ~ k
2
) co the viet di dang:
Vi khoi lng hieu dung, phng trnh Schrodinger cho electron
trong trng tinh the co dang phng trnh cua electron t do :

V =

2
2
2m
x E x
*
( ) ( ) + +
F = m* a
Co dang cua phng trnh chuyen ong cua hat t do vi khoi
lng m*.
Nh vay, trong phep gan ung khoi lng hieu dung:
electron chuyen ong trong trng tinh the co the xem nh electron
t do neu gan cho no khoi lng hieu dung m* .
2. Khoi lng hieu dung m* co the c xac nh t cau
truc vung nang lng cua electron .
Khai trien ham E(k) gan cac cc tr cua vung nang lng
E k E k
dE
dk
k k
d E
dk
k k
k k
k k
( ) ( ) ( ) ( ) ....... = +

(
+

(
+
=
=
0 0
2
2
0
2
0
0
1
2
Tai cc tr ao ham bac nhat bang 0 nen gan ung
E k E k
m
k k ( ) ( )
*
( ) =
0
2
0
2
2

m
d E
dk
k k
* =

(
=

2
2
2
0
+ m* phu thuoc vao cau truc cua vung nang lng, chnh xac
hn la phu thuoc vao o doc cua vung nang lng.
+ m* co the dng, am, co the ln hn hay nho hn khoi lng
m cua ien t t do.
=
c
c
2
2
k
E
2
x
2
2
k
E
c
c
y x
2
k k
E
c c
c
z x
2
k k
E
c c
c
x y
2
k k
E
c c
c
2
y
2
2
k
E
c
c
z y
2
k k
E
c c
c
x z
2
k k
E
c c
c
y z
2
k k
E
c c
c
2
z
2
2
k
E
c
c
Trng hp 3 chieu:
Khi o tensor nghch ao khoi lng hieu dung co dang:
=
*
m
1
*
xx
m
1
*
xy
m
1
*
xz
m
1
*
yx
m
1
*
yy
m
1
*
yz
m
1
*
zx
m
1
*
zy
m
1
*
zz
m
1
ay la tensor oi xng. Neu chon he toa o thch hp ta co
the cheo hoa tensor o thanh:
3
2
1
*
m 0 0
0 m 0
0 0 m
m =
Trong trng hp tinh the khong hoan toan ang hng, nang
lng cua electron gan iem cc tr k
o
co the viet di dang
3
2 2
2
2 2
1
2 2
2 2 2 m
) k k (
m
) k k (
m
) k k (
) k ( E ) k ( E
oz z
oy y
ox x
o

m
1
, m
2
va m
3
la khoi lng hieu dung tng ng doc theo
truc x , y va z.
Neu vung hoa tr hoan toan ay electron th mat o dong
tong cong bang 0 v khi nao cung co 2 electron vi van toc
bang va ngc chieu nhau.
Trong trng hp vung hoa tr hoan toan ay electron tr mot
mc i con trong th :
LO TRONG
Mat o dong do n electron co trong vung hoa tr:
trong o tong c lay theo moi trang thai co electron chiem.
j e v e v ev
s
v i
s
moi s
i
= = +
=

.

=
s
s
v e j
Neu vung hoa tr a hoan toan ay th khi tac dung ngoai
lc F len he, gia toc tong cong cua cac electron trong vung o
bang 0 . Gia toc cua tap the electron trong mot vung hoan
toan ay tr mot mc trong :
a
d
dt
k
m k
d
dt
k
m k
d
dt
k
m k
F
m k
s
s
s i
s
s
moi s
i
i i
= = =
=


* ( ) * ( ) * ( ) * ( )
.
Tap hp cac electron o c gia toc nh khi he ch co mot hat
(lo trong) vi vect song k
i
va vi khoi lng hieu dung bang
va ngc dau vi khoi lng hieu dung cua electron khuyet .

Tap the electron trong vung hoa tr ch con mot mc trong
co tac dung dan ien nh mot hat tch ien dng : lo trong.
Cac lo trong xuat hien cac nh cua vung nang lng .
o khoi lng hieu dung cua electron la am : lo trong
co khoi lng hieu dung dng.
Nang lng cua lo trong c tnh theo chieu ngc vi chieu
cua electron
Lo trong co spin = 1/2 va tuan theo cac phng trnh chuyen
ong nh electron .
Lien ket
b gay
Nang lng thap
nhat cua electron
Nang lng
thap nhat cua
lo trong
Tap hop cua cac electrons trong vung
hoa tr tng ng mot hat co +m* va
+q
Chieu tang nang
lng cua electron
Chieu tang nang
lng cua lo
trong
ong nang
cua ien t
ong nang
cua lo trong
The nang cua
ien t
The nang cua
lo trong
Nang lng
cua ien t
Nang lng
cua lo trong
Chieu tang nang lng cua ien t va lo trong
Khoi lng hieu dung m* ln va nho
Khoi lng hieu dung
Cong hng Cyclotron cac mat nang lng cua vung
dan va vung hoa tr gan bien vung
-
=
m
eB
c
e
m
*
la khoi lng hieu dung cyclotron
Tinh the Electron (m
e
/m)
L trong nang
(m
hh
/m)
L trong nhe
(m
lh
/m)
GaAs 0.066 0.5 0.082
InAs 0.026 0.39 0.025
Cu
2
O 0.99 -- 0.58
Ly thuyet nhieu loan cho hay, vi tinh the co vung cam thang,
khoi lng hieu dung cua electron ty le vi o rong vung
cam E
g .

( )
1
g
e
eV 6 . 0 ~ 5 . 0
E
m
m

~
Vung cam cang hep, khoi lng hieu dung cang nho.
o rong vung cam E
g
(eV)
K
h
o

i

l

n
g

h
i
e

u

d
u

n
g

(
m
*
/
m
o
)

PHAN BIET CAC CHAT
BAN DAN IEN - KIM LOAI VA IEN MOI DA VAO
CAU TRUC VUNG NANG LNG CUA CHUNG
Dong ien la dong chuyen ong co hng cua cac hat
mang ien di tac dung cua ien trng ngoai.
Van toc cua tap the electron di tac dung cua ien trng
ngoai phai co thanh phan khac 0 doc theo phng cua ien
trng.
Trong mot vung hoan toan ay electron , cac electron ch co
the thay oi v tr cho nhau va doc theo mot chieu nao o, vect
van toc tong cong bang 0.
Khi at ien trng len tinh the, electron co the thu c nang
lng khi chuyen ong trong trng o.
Nang lng ma electron thu c tren quang ng bay t do
bang eE .
Tren thc te eE << Eg.
Nh vay noi chung, nang lng ma electron thu c khi o
khong u e cho no nhay qua vung cam e len vung dan.
muon dan ien tot, chat phai co vung nang lng cha
ay electron .
Nang lng dao ong nhiet cua mang tinh the co the cung cap
nang lng cho electron nhay t mot vung ay len vung trong
tren.
mot nhiet o T nao o, ong nang trung bnh cua cac
nguyen t bang 3kT/2 ( khoang 0,037 eV ) nhiet o phong.
Tren thc te bao gi cung co cac nguyen t co nang lng
rat ln hn gia tr trung bnh o. Theo phan bo Boltzmann, xac
suat e nguyen t dao ong co nang lng bang E ty le vi
exp(-E
g
/kT) .
Cac nguyen t , khi va cham vi cac electron , nhng cho chung
mot phan hay toan bo nang lng cua mnh.
Neu nang lng o bang hoac ln hn o rong vung cam E
g

th electron co the nhay len vung tren.
Vi nhng ieu va noi, da vao cau truc vung nang lng
cua mot chat ta co the biet chat o dan ien hay cach ien.

1. Chat co vung hoa tr ch ay mot phan(kim loai kiem)
hay a ay hoan toan nhng co mot phan trung vi
vung nam tren (kim loai kiem tho) .
Di tac dung cua ien trng ngoai, cac electron co
the chuyen ong de dang trong pham vi cua vung hoa tr.
KIM LOAI
V DU
Cac kim loai kiem : Li, Na, K, Rb va Cs .
Cac electron hoa tr trong cac kim loai nay nam trang
thai n
s
. Khi tao thanh tinh the chat ran, cac vung nang lng
tr vung hoa tr, eu hoan toan ay electron .
Vung hoa tr (hnh thanh t mc n
s
) co 2N trang thai nhng
ch co N electron : vung hoa tr ch ay mot na.
Cac kim loai kiem dan ien tot.

KIM LOAI KIEM
Na
11
: . . . 3s
1

Khi hnh thanh tinh the, vung ns va np phu nhau mot phan. Nh
o, cac electron nam cac mc cao cua vung ns chiem cac
mc thap cua vung np cho en khi ca hai vung cha electron
en mot mc ngang nhau .
Cac kim loai kiem
tho co hai electron
hoa tr nam trang
thai n
s
.

KIM LOAI KIEM THO
V DU
Mg
12
: 1s
2
2s
2
2p
6
3s
2

Ca hai vung nay eu co electron va con nhieu mc trong.
Kim loai kiem tho dan ien tot.
2. Chat co vung hoa tr cha ay electron va tren o la vung
cam nang lng co o rong bang E
g
.
nhiet o 0 K chat nay hoan toan khong dan ien v nang
lng ma electron thu c trong ien trng ngoai va dao ong
nhiet khong u e vt qua vung cam.
mot nhiet o T nao o, xac suat e electron co nang lng
bang E
g
ty le vi exp(-E
g
/ kT) .
Nh vay, bao gi cung co mot so electron co nang lng nhiet
u e nhay len vung nang lng nam ben tren con rat
nhieu mc trong.
CHAT CACH IEN VA CHAT BAN DAN
Neu Eg kha ln va nhiet o khong qua cao th so electron
nhay c len vung tren khong ang ke va chat nh vay tren
thc te la mot chat khong dan ien.
Thng quy c : chat co cau truc vung vi Eg > 3 eV la chat
cach ien.
Neu Eg < 3 eV, khi nhiet o khong qua thap th so electron co
u nang lng e vt qua vung cam kha nhieu Chat ban
dan
So electron t vung hoa tr nhay len vung tren (c goi la
vung dan) trong mot n v thi gian bang Aexp(-Eg / kT) vi A
la mot he so ty le khong phu thuoc nhiet o.
Moi electron nhay c len vung dan e lai mot lo trong
trong vung hoa tr.
ong thi vi s nhay len vung nang lng cao hn cua
electron la qua trnh nhay ngc tr lai vung hoa tr (qua
trnh tai hp electron -lo trong ) .
Toc o cua qua trnh nay ty le vi nong o n cua electron
co trong vung dan va nong o p cua lo trong co trong vung
hoa tr , ngha la bang .n.p vi la he so ty le.
n
A
E
kT
g
=

exp
2
kT
E
exp A
g

= .n.p = n
2
( v n = p ).
Trong trang thai can bang
ong
Nguyen to a ( nm) E
g

C (kim cng) 0,356 5 eV
Si 0,543 1,1 eV
Ge 0,566 0,7 eV
Thiec 0,646
Kim loai Chat ban dan ien moi

E
f
E
g

E
c
E
c
E
v
E
v
E
g

Giai thch c tai sao chat ran la chat dan in, chat ban
dan hoac chat cach in.
Thiet lap quan he gia cac tnh chat cua vat lieu va
nguyen t.
Giai thch s ton tai cua cac hat co ien tch dng (lo
trong) va giai thch khai niem khoi lng hieu dung.
Phep gan ung mot electron khong the tnh en cac hieu
ng tap the nh hien tng sat t va sieu dan va s chuyen
pha do nang lng toan phan cua electron.
THANH CONG VA HAN CHE
CUA LY THUYET VUNG N GIAN