2010-4

shiningx

http://emuch.net/bbs/viewthread.php?tid=1080435
Abigale209 bdtlyh shiningx jennyge
wangzf1128akakcolinlxq0628yzclusterxiaomuchong916 6110
chengranwfliu2301 1890

2008 12 1 15

zt978031
2010 4 7


1
6
10
31
36
42


1.1 x

x
(P2, 1-2) / 6 0.52
(P3, 1-3)
3 / 8 0.68
(P3, 1-7)
2 / 6 0.74
(P4, 1-6)
2 / 6 0.74
(P5, 1-8)
3 /16 0.34

nrV

4 nr 3
: = a r
3V
r n V
a/2 1 a3 / 6 0.52
a/2 1 a3
3 / 8 0.68
2 a3
3a / 4 2 / 6 0.74
4 a3
2a / 4 2 / 6 0.74
a/2 2
2a 3 3 /16 0.34

1/ 2
c 3
1.2 hcp = 1.633
2 8
1/ 2
2 2 c c 3
1.1 h = a = 2 r = 1.633
3 3 2 2 8
1.3

a2 a3 a3 a1 a1 a2
b1 = 2 b2 = 2 b3 = 2
a1 a2 a3 a1 a2 a3 a1 a2 a3
a a a
a1 = (i + j + k ), a2 = (i j + k ), a3 = (i j + k )
2 2 2
a2 a3 2 a a
b1 = 2 = ( i j + k ) (i + j k )
a1 a2 a3 v0 2 2

2 a 2 2
= (i j + k ) (i + j k ) = ( j +k)
v0 4 a

a3 a1 2 2
b2 = 2 = (i + k ) b3 = (i + j )
a1 a2 a3 a a

b1 , b2 , b3

a1 = a( j + k ) / 2
a2 = a(k + i ) / 2
a3 = a(i + j ) / 2

a2 a3 2
b1 = 2 b1 = ( i + j + k )
a1 a2 a3 a
2 2
b2 = (i j + k ) b3 = (i j + k )
a a
b1 , b2 , b3

(2 )3
1.4 v 0
v0

a2 a3
b1 = 2
a1 a2 a3

a3 a1
b2 = 2
a1 a2 a3

a1 a2
b3 = 2
a1 a2 a3

v0 = b1 (b2 b3 )
*

(2 )3 (2 )3
v = 3 (a2 a3 ) (a3 a1 ) (a1 a2 )
*
0 v =
*
0
v0 v0

1.5 G = h1b1 + h2b2 + h3b3 ( h1h2 h3 )

a1 a3 a a
CA = , CB = 2 3
h1 h3 h2 h3

Gh1h2 h3 CA = 0

Gh1h2 h3 CB = 0

G = h1b1 + h2b2 + h3b3 (h1h2 h3 )

1.6 a , b , c

h k l
( hkl ) d = 1 ( )2 + ( )2 + ( )2
a b c

a b c a1 = ai , a2 = bj , a3 = ck

a2 a3 a3 a1 a1 a2
b1 = 2 b2 = 2 b3 = 2
a1 a2 a3 a1 a2 a3 a1 a2 a3
2 2 2
b1 =
i , b2 = j , b3 = k
a b c
2 2 2
G = hb1 + kb2 + lb3 = h i +k j +l k
a b c
2 h k l
(hkl ) d = =1 ( )2 + ( )2 + ( )2
G a b c


1.7 a

6 12 8
a
2a / 2 3a / 2

12 6 6
a a
2a

1.7 (100) (110) (111)

1.9 (111)(100)(111)(110)
(111)(100) ABAB

A O B RB = aj + ak

111100 AB = aj + ak

011

(111)(110) AB
AB A O B

RB = ai + aj

(111)(110) AB = ai + aj

110

1.10 x
xx / 2 3 / 2 C1

C4:C4=C1 C2 C3 C4

1 0 0

1.11 0 2 0
0 0 3

A = A A x
T

a 180 z c 120
1 0 0 1/ 2 3 / 2 0

Ax = 0 1 0 Az = 3 / 2 1/ 2 0
0 0 1
0 0 1

11 12 13

= 21 22 23 = AT Ax
x

33
31 32

11 12 13 11 12 13 11 0 0

21 22 23 = 21 22 23 = 0 22 23 = AzT Az
33 31 32 33 0 33
31 32 32

11 3 22 3 11 3 22 3 23
+ +
11 0 0 4 4 4 4 2
3 11 3 22 3 11 22
0 22 23 = + + 23
0 4 4 4 4 2
33 3 23 23
32
33
2 2

11 0 0

23 = 32 = 11 = 0 = 0 22 0
0 0 33

1 0 0

= 0 2 0
0 0 3

1.12 Nacl

Oh Fm3m
Oh Fd3m
Td
F43m

Nacl Oh Fm3m

2.1 = 2 ln 2 .

r

(1) 1 1 1 1
= = 2[ + + ...]
r j rij r 2r 3r 4r

2 ri

2
1 1 1
= 2[1 + + ...]
2 3 42
x x3 x 4
n (1 + x) = x + + ...
x 3 4
1 1 1
X=1 1 + + ... = n 2 = 2 n 2
2 3 4
2.2 Nacl

e 2 C
u (r ) = +
r rn
1
du e 2 nC nC n +1
= n +1 = 0 r0 (e ) = 2 e 2e
e
r0
dr r02 r0
1
1
nC n +1
r0 (2e ) = 2
= 4 n +1 r0 (e )
4e

e 2 1 4e 2 1
n
u (r ) = 1 e 2e u (2e ) = 1 = u (e ) 4 n +1
r0 n r0 (2e ) n

2.3 u ( r ) = m
+
r rn
1 r 0 2 W 3 4

m = 2, n = 10, r0 = 0.3 nm, W = 4 eV ,

N
1 U ( r ) = ( m + n )
2 r r
dU m n n n 1m
=0 m +1 + n +1 = 0 r0 = ( )
dr r = r0 r0 r0 m

1
2) W = u (r0 )
2
1 m n nmm
u (r0 ) = ( + ) W = (1 )( )
rm rn r = r0 2 n m

2U
3) K = ( )V V0
V 2 0

V = NAr A N
3

N
U ( r ) = ( m + n )
2 r r
N m n 1
= ( m +1 n +1 )
2 r r 3NAr 2
2U N r m n 1
= [( m +1 n +1 ) ]
V 2
2 V r r r 3NAr 2

2U
K = ( )V V0
V 2 0

2U N 1 m 2 n 2 m n
= [ + n m + n]
V 2 V =V0
2 9V02 r0m r0 r0 r0

U N m n 1
= ( m +1 n +1 ) =0
V V =V0 2 r0 r0 3 NAr02

m n
= n
r0m r0

2U N 1 m 2 n 2
= [ + n ]
V 2 V =V0
2 9V02 r0m r0

2U N
K = ( )V V0 U0 = ( m + n )
V 2 0 2 r0 r0

2U N 1 m 2 n 2
= [ + n ]
V 2 V =V0
2 9V02 r0m r0

2U N 1 m n
= [m m + n n ]
V 2 V =V0
2 9V02
r0 r0

m n N nm
= n = [ m + n ]
r0m r0 2 9V02
r0 r0

2U mn mn
= (U 0 ) K = U0
V 2 V =V0
9V02 9V0

m n n n 1m 1 m n nmm
4 m = n r0 = ( ) W = (1 )( )
r0 r0 m 2 n m
W 10
= r0 = 1.18 1095 eV m10
2

= r02 [ + 2W ] = 9.0 1019 eV m 2
r010
2.4 sp3

sp3

109 28'

2.5 III-V III V q*=0 fi

2
III q = 3 8 q*=0 = 3 / 5
* 2

1 + 2
Coulson III-V q*=0

p A p B 1 2
fi = = = 0.25
p A + pB 1 + 2
2.6(LennardJones) Ne bcc fcc

1
u (r ) = 4 ( )12 ( )6 , u (r ) = N (4 ) An ( )12 Al ( )6
r r 2 r r

du (r ) A12 6 1 A62
= 0 r0
6
= 2 u 0 = N
r r A6 2 A12

bcc u (r0 )bcc A2 A 12.252 / 9.11

= = ( 6 ) /( 6 ) = = 0.957
fcc u (r0 ) fcc A12 A12 14.452 /12.13

2.7 H 2 LennardJones = 50 10 J , = 2.96 A .

6

H 2 KJ/mol

0.751kJmo1

H 2 fcc LennardJones

12 12 6
6

U = 2N Pij Pij .
i R j R

P 6 = 14.45392; P 12 = 12.13188,
j
ij
i
ij

= 50 1016 erg , = 2.96 A, N = 6.022 1023 / mol.

R 0 U
2.96
12
2.96
6

U = 2 6
022 10 / mol 50 10
28 16
erg (12.13) (14.45 ) 2.55 KJ / mol.
3.16 3.16

H 2 2.55KJmol 0.75lKJmo1

H 2

3.1 j n

nj = a j sin( j t _ naq j + j ) j
kT

n = nj = a j sin( j t + naq j + j ) 1
j j

n2 = nj nj* = nj2 + nj i nj*
j j j j j

nj nj 2

n =
2
j
2
nj

nj t

1 T0 1 2
2j =
T0 0
a 2j sin( j t + naq j + j )dt =
2
aj 2

kT nj

1 L T0 1 d nj 2 w j a 2j T0 2 1
Tnj =
T0
0
dx
0

2 dt
dt =
2T0
L a j sin( j t + naq j + j )dt = w2j La 2j
0 4

L T0

1 1
Tnj = w2j La 2j = KT 3
4 2
KT
2 nj =
2

PL 2j

KT KT 1
n2 == nj2 = =
j j PL j PL j 2j
2

3.2 N ( a) 2N M=m

M 2n-1 2n+1 2n+3

m 2n 2n+2 2n+4

10


m2 n = (22 n 2 n +1 2 n 1 )

M 2 n +1 = (2 2 n +1 2 n + 2 2 n )
N 2N

m2 n = (22 n 2 n +1 2 n 1 )

M 2 n +1 = (2 2 n +1 2 n + 2 2 n )

2 n = Aei[t (2 na ) q ]
2 n +1 = Bei[t (2 n +1) aq ]
(2 m 2 ) A (2 cos aq ) B = 0

(2 cos aq ) A + (2 M ) B = 0 2 m 2 2 cos aq
2

A , B =0
2 cos aq 2 M 2

(m + M ) 4mM 1
2 = {1 [1 sin 2
aq ] 2
}
mM (m + M ) 2

(m + M ) 4mM 1
+ 2
= {1 + [1 2
sin aq ] 2 }
mM (m + M )2

(m + M ) 4mM 1
2 = {1 [1 sin 2
aq ] 2
}
mM (m + M ) 2

q
2N

4 aq
M=m + = cos
m 2

4 aq
= sin
m 2

qa qa
q 0 sin( ) = (2 )q
2 2 m

11


3.3 c 10 c
a
k = 0 k = ( k )
2 a
H 2

a/2 C 10c

us 1 vs 1 us vs us +1 vs +1

d 2us
M = C (Vs 1 us ) + 10C (Vs us )
dt 2

d 2Vs
M = 10C ( us Vs ) + C ( us +1 Vs ) ,
dt 2

us = ueisKa e it , Vs = VeisKa e it .
M 2u = C (10 + e ika ) V 11Cu ,
M 2V = C ( eika + 10 ) u 11CV ,
Uv

M 2 11C , C (10 + e iKa )

=0
C (eiKa + 10), M 2 11C

M 2 4 22MC 2 + 20C 2 (1 conKa) = 0

C
2 = 11 121 20 (1 conKa ) .
M
K=0 K= / a

+2 = 22C / M , +2 = 20C / M ,
2 = 0, 2 = 2C / M ,

2 K ( H 2 )

3.5 U lm l m

M c
a

d 2ul , m
M 2
= c[(ul +1,m + ul 1,m 2ul ,m ) + (ul ,m +1 + ul ,m 1 2ul ,m )]
dt

[(
b ul ,m = u (0 ) exp i lk x a + mk y a t a )]
12


(
M = 2c 2 cos k x a cos k y a
2
)
2
c k 1
a
k=kx ky=0 kx=ky k

a 2c 2 a 2c
d k a << 1 = k x + k y2 = k
M M

a 0 U lm

MU lm = C (U lm +1 U lm ) C (U lm U lm 1 ) + C (U l +1m U lm ) C (U lm U l 1m )

MU lm = C [(U lm +1 + U lm 1 2U lm ) + C (U l +1m + U l 1m 2U lm )]

[( )]
b U l , m = U (0 ) exp i lk x a + mk y a t

[
U l +1,m = U (0) exp i ((l + 1)k x a + mk y a t ) ]
[
U l 1,m = U (0) exp i ((l 1)k x a + mk y a t ) ]
[
U l ,m +1 = U (0) exp i (lk x a + (m + 1)k y a t ) ]
[
U l ,m 1 = U (0) exp i (lk x a + (m 1)k y a t ) ]
M = 2c 2 cos k x a cos k y a
2
( )

c k x , k y ,
a a a a
2
k
a
k=kx ky=0 M = 2c (2 cos ka )
2

ka
kx=ky M = 2c(2 cos k x a ) = 2c 2 cos
2

2

2 2
2c
d ka<<1 (2 cos k x a ) cos ka = 1 2 sin 2 ka 1 k a
M 2 2

2c k x2 a k y a 2c
2
a 2c 2
2 2 1 1 = (k x + k y ) = (k x + k y ) = a c k
M 2 2 M M M

q 2
3.5 u ( r ) = +
r rn

13


= 1.75, n = 9 r0 = 2.82A

NaCl
61u
NaCI
1
u0 = r0 2
2
.

2
=

1 1 1
= +
m M

u 0

u e 2 nc
= n +1 = 0
r r = r0 4 0 r0
2
r0

c e 2 1
=
r0n 4 0 r0 n

e 2 1
Eb = u (r0 ) = + (1 ) = 1.27 10 18 J
4 0 r0 n

2 2 2 1 1
= = u( + )
r02
r0 m M

= 5.25 1013

v= = 8.35 1012 s 1
2

c 3 10 8
= = = 3.59 10 5 m = 36m
v 8.35 10 12

= 61m

3.6 ( )

14


L = Na
2 2
q = h
Na Na
Na Na
dq dq
2 2
q, d

Na
( )d = 2 dq
2
4 aq
2 = sin 2 ( )
m 2
4 aq
0 = = 0 sin( )
m 2
a aq
d = 0 cos( )dq
2 2
aq 2 a
cos( ) = 1 2 d = 02 2 dq
2 0 2

a 2 d
d = 02 2 dq dq =
2 a 02 2

Na N 1
( ) d = 2 dq = 2 d
2 02 2

2N 1
( ) =
02 2

3.7 q=0 ( q ) = 0 Aq 2

V 1
3/ 2 ( 0
) , < 0 ;
1/ 2
f ( ) =
4 A
2

f ( ) = 0 . , > 0
1 1

> 0 0 = Aq > 0 f ( ) = 0, < 0 0 = Aq q = A (0 )

2 2
2 2

V ds
( 2 ) (q)
q ( q ) = 2 Aq, f ( ) = 3

q

V ds V 1 A1/ 2 V 1
f ( ) = ( ) 3/ 2 (0 )
1/ 2
= 4 =
( 2 ) q (q ) ( 2 ) 2 A ( 0 ) ( 2 ) A
3 3 2 0 1/ 2 2

15


2 2
2 2

2 2
B B =
2m
( K + K ) = 2m a + a = 2m 2 a , B / A = 2
2
x
2
y

3.8 N S
2
T

k k + dk n n + dn

L2 5 3s
2 ndn 2 ndn = kdk = kdk ( ) = d
2 2 2 v 2
2

d
3s ( k B T ) k B T k B T = 3s ( k B T )
3 3
3s m 2 d D xD x 2 dx
E=
2 v 2
0 e / k BT
1
+ E0 =
2 v 2 2
D e / k BT 1 2 v 2 2
D ex 1
E
T 0E T 3 , Cv = ( )s T 2
T
3.9

q
F U 0 + k BT n
q k BT
1
q

: F = U + k BT
q
+ n 1 e
kBT

q 2 k T
B
k BT g

e x = 1 x + x 2 + ...

q 2
q

e
k BT
= 1 + q + ...
k BT k BT

1 q q
F U + 2 q + k BT n 1 1 +
k BT
U 0 + k BT n
q q k BT

1
U 0 U + 2 q
q

1
3.10
2
: T=0K E0

m 1 3V
E0 = E0 ( )g ( ) d E0 ( ) = g ( ) = 2 3 2
0 2 2 vs

16


3V 9 9
E0 = m 4 = N m m = k B D E0 = Nk B D
16 vs
2 3
8 8

2
~ 10 K

3.11
M
m = 5 1.67 1024 g , = 4, = 1.5 101 N / m (1.51 104 dyn / cm),
m
max
1 0
, min
0
max
A

2
3 300k

4 max
0

2 2 1.5 104 dyn / cm

max = = = 3.00 1013 s 1 ,
A
1
M 4 5 1.67 1024

2 ( M + m ) 2 1.5 104 ( 4 5 + 5 ) 1.67 1024 dyn / cm

o
max = = = 6.70 1013 s 1
Mm 4 5 1.67 1024 5 1.67 1024

2 2 1.5 104 dyn / cm

max
A
= = = 5.99 1013 s 1
m 5 1.67 10 24

max
A
= 6.58 1016 5.99 1013 s 1 = 1.97 102 eV
2 max
o
= 6.58 1016 6.70 1013 s 1 = 4.41 102 eV
min
o
= 6.58 1016 3.00 1013 s 1 = 3.95 102 eV

1 1
3 nmax
A
= A
max
= 0.873, nmax
O
= O
max
= 0.221
e / kBT
1 e / kBT
1
1
O
nmin = O
min
= 0.276
e / k BT
1
2 c
4 = = 28.1 m

17


4.1 k = E E+ +
a
2
( Vn = Vn )
*

k = + k = = A k ( x) + B k ( x)
0 0

a a
E 0 (k ) E A + Vn* B = 0

Vn A + E 0 ( k ) E B = 0 E = E+

E+ = E 0 (k ) + Vn

V(x)<0, Vn < 0 , B= -A,

n n
A i x i x 2A n
+ = A k0 ( x) k0 ( x) = e
a
e a
= sin x
L L a

E = E E = E 0 (k ) Vn Vn A = Vn B, A = B

A i na x i na x 2 A n
= A ( x) ( x) =
0
k
0
k e e = cos x
L L a

+ (k )

n 2 2a
k = = =
a k n

18


4.2 n (n=123) k = 0
2a

1 ikx 1 ikx i 2a mx 1 i 2a x i 2a mx 1 i 2a ( m + 14 ) x
k ( x) = e = = e e =
*
e e e
L L L L

1 i 2a x
m = 0, m = 0, ( x) = e *
k
2a L
2
2 2 i x i

1 i 32a x
b = bb b, m = ,m = 1,e a =e 2a k* ( x) = e
a a L

2 2 1 i 2a x i 2a x 1 i 52a x
c c, m = , m = 1, k* ( x) = e e = e
a a L L
4.3
1
m 2 b 2 ( x na ) 2 , na b x na + b
2
V ( x) = 0 (n-1)a+b x na b
a4b
(1) .
(2)
(I)

(2) V ( x) a

1 1 a 1 a b
V ( x) =
L L
V ( x) = V ( x)dx = V ( x)dx
a b a b
a = 4b a b = 3b [b,3b ] V ( x) = 0

[ b, b ] n = 0

1 b m 2 b 2 m 2 2 1 1
a b 2a b = 6 mb
V= V ( x ) dx = (b x 2
) dx = b x b
x3 b 2

2a
b b
3
3[-2b,2b]

19


m 2 2b m 1 b m
V ( x) = V0 +
m =
Vm cos
2b
x, Vm =
2b 0
V ( x ) cos
2b
xdx =
b 0
V ( x) cos
2b
xdx

m 2 b x
Eg1 = 2 V1 ,m = 1,Eg1 =
b 0
(b 2 x 2 ) cos
2b
dx

u 2
2 (
u cos mudu =
2
mu sin mu + 2 cos mu ) 3 sin mu
m m
16m 2
E g1 = b 2 Eg2 = 2 V2 ,m = 2,
3

m 2 b x 2m 2
Eg2 =
b
0
(b 2 x 2 ) cos
b
dx E g2 =
2
b2

s
4.4 s E (k )

s E (k ) = s J 0
s

Rs = Nearest
J ( Rs )e ik Rs

s J1 = J ( Rs ) = ( Rs )[U ( ) V ( )]i0 ( )}d > 0

0*
i

E s ( k ) = s J 0 J1
Rs = Nearest
e ik Rs

12

12

a a a a a a
2, 2
, 0 0,
2
,
2 2
, 0,
2

a , a , 0 0, a
,
a a
, 0,
a
2 2 2 2 2 2

a , a
, 0 0,
a
,
a a
, 0,
a
2 2 2 2 2 2
a a a a a a
, , 0 0, , , 0,
2 2 2 2 2 2

20


a a
Rs =
2
i + j + 0k
2
E s ( k ) = s J 0 J1
Rs = Nearest
e ik Rs

a a
i ( k x i + k y j + k z k ) ( i + j + 0 k )
ik Rs
e =e 2 2

a
i ( kx + k y ) kx a ka k a k a
e 2
= (cos i sin x )(cos y i sin y )
2 2 2 2
12
s

E s (k ) = s J 0
kx a k a ka ka k a ka
4 J1 (cos cos y + cos x cos z + cos y cos z )
2 2 2 2 2 2

a a a a a a
2, , 2, ,
2 2 2 2

a, a,
a a, a
,
a
2 2 2 2 2 2

a, a
,
a a, a
,
a
2 2 2 2 2 2
a a a a a a
, , , ,
2 2 2 2 2 2

a a a
Rs =
2
i + j+ k
2 2
E s ( k ) = s J 0 J1
Rs = Nearest
e ik Rs

a a a a
i ( k x i + k y j + k z k ) ( i + j + k ) i ( kx + k y + kz )
ik Rs
e =e 2 2 2
=e 2

kx a ka k a k a ka ka
= (cos i sin x )(cos y i sin y )(cos z i sin z )
2 2 2 2 2 2
8
s

E s (k ) = s J 0 8 J1 cos( k x a / 2) cos(k y a / 2) cos(k z a / 2)

4.5 |n> n s
<m|H|n>

21


N n xn s

u ( x xn ) ( x xn ) E
(0 )

v( x ) N

k ( x ) = Cnk ( x xn ) Cnk nk x Bloch

n

k ( x ) = e e ( x xn ) = e ik x ( x xn ) Cnk = e ik x
ik x n ik ( x x n ) n

n n

H k ( x xn ) = E k ( x )

2
2 2 2
H = + v(r ) = + u (x xn ) + [v(r ) u ( x xn )] = H 0 + H
2m 2m

v(r ) u ( x xn ) = H xn H xn ( x xn )

(x )H (x )d
*
k k
E =
(x ) (x )d
*
k k

< m | H | n >= k* ( x )H k ( x )d
(
= k* ( x ) H 0 + H k ( x )d)
( )
= k* ( x ) H 0 + H e ik xn ( x xn )d
n

= E (0 ) k* ( x ) k ( x )d + e ik xm ( x xm ) H e ik xn ( x xn )d
m n

+ e (x x )H (x x )d
(0 ) ik ( x n x m )
= NE *
m n
m n

= NE (0 ) + N e ik ( xn xm ) * ( x xm )H ( x xn )d
n

4.6 a
b
1 s
2 E(k)

1
1 k (r ) =
N
exp[ik R ] (r R )
Rm
m i m

1
k (r ) =
N
exp[ik (R
Rm d
m + d )]i (r Rm d )

d 0 b ab

1
k (r ) =
N
exp[ikna] (r R ) + exp[ik (na + b )] (r R
Rm
i m i m b)

22


2
E (k ) = i J 0 (0 ) J (na a + b ) exp[ik (na a + b )] + J (na + b ) exp[ik (na + b )]
n

S s J1>0

E (k ) = i J 0 (0 ) J1{exp[ik (na a + b )] + exp[ik (na + b )]}

2n 1 a a
E (k ) = i J 0 (0 ) J1 exp ik a + b exp ik + exp ik
2 2 2

2n 1 a
E (k ) = i J 0 (0 ) 2 J1 exp ik a + b cos ik
2 2
4.7 a Na
1 s E(k)
2

3 s T=0K E F0 E F0

(1), E (k ) = s J 0 J1 (e + eika ) = s J 0 2 J1 cos ka = E0 2 J1 cos ka

ika

ik Rs
E (k ) = E J 0 J ( ps )e

L dk 2 Na 1 N
(2) , N ( E ) = 2 2 = =
2 dE 2 J1a sin ka J1 sin ka

k F0 Na 2 Nak F0
(3), N = 0
2 (k ) 2dk = 2
2
2k F0 =

k F0 =
2a
N N
EF0 = E (k F0 ) = E 2 J1 cos a = Es , N ( EF0 ) = =
2a J1
J1 sin a
2a
4.8 (1)
2 (2)
(3)(2) 7
2 2
1 a A = i,B = j
a a

23


a

0
a

K A = i , BK B = i + j.
a a a
2
=
2m
(K 2
x + K y2 + K z2 ) ,

2 2

2 2 2
A A = K = =
2
,
x
2m 2m a 2m a

2

2
A A == ;
2m a
2 2 2 2 2
2

2

B B =
2m
( K + K + K ) = 2m a + a + a = 2m 3 a ,
2
x
2
y
2
z

B / A = 3

(3) 72
2
=
2m
(K 2
x + K y2 + K z2 ) FerM (2)

3
4
4 K
3 a

24


3
4 V
2 = N = 1.047 N V = Na 3
( 2 ) 3
3
3 a
2 1.047
0.953
( B )
(b)B A


Ferm


4.9
2
k2
E1 (k ) = E1 (0) , m1 = 0.18 m
2m1
2
E2 (k ) = E2 (k0 ) + (k k0 ) 2 , m2 = 0.06 m
2m2

E1 (0) 1 E2 ( k0 ) 2 E1 (0) E2 ( k0 ) = 0.1 eV

1 2 1
T=0K
1 2
2
k2
E1 (k ) = E1 (0)
2m1
2
E2 (k ) = E2 (k0 ) + ( k k0 ) 2
2m2
1

V dS
N1 ( E ) = 2
(2 )3 Ek

2
k
k E =
m1

V dS
k E = 2[ E1 (0) E1 (k )] / m1 N1 ( E ) = 2
(2 )3 E
k

V 4 k 2
N1 ( E ) = 2
(2 )3 2[ E1 (0) E1 (k )] / m1
3
2V 2m1 2
N 1( E ) = 2 E 1(0) E 1(k )
( 2 ) 2

25


2
3
2V 2m 2 2
N 2( E ) = 2 E 2(k ) E 1(k 0)
( 2 ) 2

1 2
E1( 0 ) EF0

N1 ( E )dE = N 2 ( E )dE
EF0 E2 ( k0 )

E1( 0 ) EF0
2V 2m1 32 2V 2m2 32
(2 ) 2
( 2 ) E1 (0) E1 (k )dE = (2 ) 2
( 2 ) E2 (k ) E2 (k0 )dE
EF0 E2( k0 )

E1( 0 ) EF0
m13/ 2 [ E1 (0) E1 (k )]3/ 2 = m23/ 2 [ E2 (k ) E2 (k0 )]3/ 2
EF0 E2 ( k0 )

m1[ E1 (0) EF0 ] = m2 [ EF0 E2 (k0 )]

m1 E1 (0) + m2 E2 (k0 )
EF0 = m1 = 0.18 m, m2 = 0.06 m E1 (0) E2 (k0 ) = 0.1 eV
m1 + m2

EF0 = E2 (k0 ) + 0.075eV

4.10

V 4 3
m 2 k =N
(2 ) 3 F
3

N 4 + 4m
k F3 = 3 2 = 3 2
V a3
4 / a [111]
2 2 2
2 1 1 1 3
k min = + + =
a 2 2 2 a

3
k F = k min m = 1
4

m 3 4
=
1 m 3 + 8
4.11 a
X E(k)

2 2 2
a A = i B = j C = k
a a a

26


k 2
2
E
(0 )
(k ) = k
2m

Gn k = k Gn k

( ) ( )
2 2
(0 ) (0 )
E n k = E n k + Gn = k + Gn
2m

2
2
2
2
2
2
2
En (k ) =
(0 )
k x + nx + k y + ny + kz + nz
2m a a a
2

2
k k / a En (k )
(0 )

2m a

(k ) = (k x + 2nx )2 + (k y + 2n y )2 + (k z + 2nz )2 X k x = k x k y = k z = 0
(0 )
En

0 < k x < 1 En (k ) = (k x + 2nx ) + 4n y + 4nz

(0 ) 2 2 2

(0,0,0 )E (0,0,0) = k x2
(0 )

E(k)

( 1,0,0 )E (0 ) ( 1,0,0 ) = (k x 2 )
2

(0,1,0)E (0 ) (0,1,0) = k x2 + 4

(1,0,0 )E (0 ) (1,0,0 ) = (k x + 2 )
2

27


2 x 2 y
4.12 U ( x, y ) = 4U cos cos .
a a

,
a a

i, j b1 , b2

2
r = xi + yi, G = G1b1 + G2b2 =
a
( )
g1b1 + g 2b2 , g1 , g 2

2 x 2 y
U ( x, y ) = 4U cos cos .
a a

i 2 x i 2 x i 2 y i 2 y
U ( r ) = U e U G(11) e
iG (11)
+e e +e
G(11)
U G(11) = UU G(10) = U G( 20) = ... = 0

( k ) C ( K ) + U G G ( K G ) = 0
G

( K ) C ( K ) + U G(11)C ( K G(11) ) + U G( 1 1 )C ( K G( 11) ) + U G(1 1 )C ( K G(1 1 ) ) + U G( 11)C ( K G( 11) ) = 0

1 1 1
, k = G ( , ) = G (11)
a a 2 2 2

= C ( K )eiKr + C ( K G )ei ( K G ) r
1 1
K = G (11) , K = G (11)
2 2
1 1
K G (11) = G (11) , K G ( 1 1 ) = + G (11) K G (1 1 )
2 2
K G (1 1 ) > G (11)

1 1
C G (11) , C ( K G (11) ) = C G (11) ;
2 2

2
1

( )
2
1
C G (11) , C K G ( 1 1 ) = C + G (11) ;

1 1
1 G (11) C G (11) UC G (11) = 0
2 2 2
1 1
1 G (11) C G (11) UC + G (11) = 0
2 2 2

28


1
u
= 0
G(11)
2

u 1
G(11)
2

2
1
2
2 2
1 =1 = = G (11) =
2
G (11) G (11)
2 2m 2 ma 2

2
2
( ) 2 U 2 = 0 = U = U ,
ma 2

,- = + = 2u.
a a
2 2 2
2)a A = i, B = j, C = k,
a a a
72
4.13 s E(k)

2
kx = k = k = 0,
(1): X a , x y 0 1

E s = s 4 (1 + 2 cos )
2
kx = = K y = KZ
(2): L , a 0 1/ 2

E s = s 12 cos 2

2
kx = = ky
(3): K , a , kz=0 0 3 / 4

E s = s 4 cos ( 2
+ 2 cos )
2 1 2
kx = k z = 0, k y =
(4): W , a , 2 a 0 1

E s = s 4 cos cos + cos + cos
2 2
S

1 1 1 1 1 1
(k ) = E s 4 cos k x a cos k y a + cos k x a cos k z a + cos k y a cos k z a
2 2 2 2 2 2

2
kx = k = k = 0,
(1): X , a , x y
1 :

29


1 1 1 1 1 1
(k ) = E s 4 cos k x a cos k y a + cos k x a cos k z a + cos k y a cos k z a
2 2 2 2 2 2

=
E s 4 (1 + 2 cos )
2
kx = = K y = KZ
(2): L , a , 1 :

1 1 1 1 1 1
(k ) = Es 4 cos kx a cos k y a + cos kx a cos kz a + cos k y a cos kz a
2 2 2 2 2 2

=
E s 12 COS 2

2
kx = = ky
(3): K , a ,kz=0 1 :

1 1 1 1 1 1
(k ) = E s 4 cos k x a cos k y a + cos k x a cos k z a + cos k y a cos k z a
2 2 2 2 2 2

=
E s 4 COS ( 2
+ 2 cos )
2 1 2
kx = k z = 0, k y =
(4): W , a , 2 a 1 :

1 1 1 1 1 1
(k ) = E s 4 cos k x a cos k y a + cos k x a cos k z a + cos k y a cos k z a
2 2 2 2 2 2

E s 4 cos cos + cos + cos
= 2 2

30


2
7 1
5.1 E ( k ) = ( cos ka + cos 2ka)
2
ma 8 8
a
1
2 k
3
2
7 1
1) E ( k ) = ( cos ka + cos 2ka)
2
ma 8 8

k = 0 E (0) = 0

2 2
k = E( ) =
a a ma 2

2 2
E = E ( ) E (0) =
a ma 2
2 k
2
7 1
E (k ) = ( cos ka + cos 2ka)
2
ma 8 8
1 dE (k )
v( k ) =
dk
1
v(k ) = (sin ka sin 2ka)
ma 4
2
7 1
3) E ( k ) = ( cos ka + cos 2ka)
2
ma 8 8

2 E m
m = =
* 2
/
k 2
cos ka (1/ 2) cos 2ka

k = 0 m = 2m
*

2
k = m =
*
m
a 3
2 7
5.2 2.5 A 10 V / m 10 V / m

31


dk
= eE
dt

dk eE
k =
dt


t = a =
a eE aeE

E1 = 10 2 V / m t = 8.3 10 8 s

E2 = 10 7 V / m t = 8.3 10 13 s

5.3 k S n r An

2
c
An = S n
qB

dk
dt
1
( )
1 dr
= e v B = e B
c c dt

t ck = er B

c
B r = k
eB
2
c
k r An = S n
qB

1
5.41.-.
B
2 B1=T

1 2q N
1 = S F = 2 2
B SF L2

S F = k F
2

E 1 / B S F

32


2
2 1 1.602 2 10 19
S F = k = 0.602
2
F = 2
q B 2
10
34
1.055 0.602
a
a
2q
2 B = 1T SF = = 90536 1015 m 2
2
2 4 2
S = = = 4.08 10 14 m 2
kF SF
2 2 2
k12 2 2
k2 k3
5.5 E ( k ) = + +
2m1 2m2 2m3

B , ,
1

qB m1m2 m3
2 = m =
*

m*
m1 + m2 2 + m3 2
2

dk
= qv(k ) B
dt
1
v ( k ) = k E (k )

2 2 2
k12 2 2
k2 k3
E (k ) = + +
2m1 2m2 2m3

E E E
k E (k ) = k1 + k2 + k3
k1 k2 k3

2 2 2
k1 k2 k3
k E (k ) = k1 + k2 + k3
m1 m2 m3

k1 k k
v ( k ) = k 1 + 2 k2 + 3 k3
m1 m2 m3

B = B(k1 + k2 + k3 )

dk
= qv (k ) B
dt

k1 k2 = k3

33


dk k k k
= qB[( 1 k1 + 2 k2 + 3 k3 ) (k1 + k2 + k3 )]
dt m1 m2 m3

dk1 k k dk1 k k
= qB( 2 3 ) + qB ( 2 3 ) = 0
dt m2 m3 dt m2 m3
dk2 k k dk2 k k
= qB( 3 1 ) + qB( 3 1 ) = 0
dt m3 m1 dt m3 m1
dk3 k k dk k k
= qB( 1 2 ) 3 + qB( 1 2 ) = 0
dt m1 m2 dt m1 m2
0 it 0 it 0 it
k1 = k1 e , k2 = k2 e , k3 = k3 e

dk1 k k qB 0 qB 0
+ qB( 2 3 ) = 0 i k10 + k2 k3 = 0
dt m2 m3 m2 m3
dk2 k k qB 0 qB 0
+ qB( 3 1 ) = 0 i k20 + k3 k1 = 0
dt m3 m1 m3 m1
dk3 k k qB 0 qB 0
+ qB( 1 2 ) = 0 i k30 + k1 k2 = 0
dt m1 m2 m1 m2

k10 , k20 , k30

qB 0 qB 0 qB qB
i k10 + k2 k3 = 0 i
m2 m3 m2 m3
qB 0 qB 0 qB qB
i k20 + k3 k1 = 0 i =0
m3 m1 m1 m3
qB 0 qB 0 qB qB
i k30 + k1 k2 = 0 i
m1 m2 m1 m2

(qB) 2 2 (qB) 2 2 (qB ) 2 2

i{ 2 + + + }= 0
m2 m3 m1m2 m1m3
= 0
1 1 1
= qB 2 + 2 + 2
m2 m3 m1m2 m1m3

m1 2 + m2 2 + m3 2 qB
= qB =
m1m2 m3 m*

m1m2 m3
m* =
m1 + m2 2 + m3 2
2

5.6 ( )
E (k ) = Ak + c k x k y + k y k z + k z k x k=0
2

34


2 A C C 2 A C C
p = C 2 A C p 2 A = C 2A C = 0
C C 2 A C C 2 A

1 = 2 = 2 A C 3 = 2 A + 2C

2 A C 0 0
1
0 2A C 0
0 0 2 A + 2C
k=0
1
2A C 0 0
1
2
0 0
2A C
0 1
0
2 A + 2C

(P E ) X = 0

C C C x 1 1

1 = 2 = 2 A C C C C y = 0 1 = 0 2 = 1

C C C z 1 0

1
3 = 2 A + 2C 3 = 1 1 2
1

1 1
( ) 1
1 = 1 = 0 2 = 2 2 1 1 = 2
(11 ) 2
1 1

1 1 1
1 1 1
1 = 1 = 0 2 = 2 = 2 3 = 3 = 1
1 2 2 6 3 3
1 1 1

35


6.1 He3 1/2 He3 0.081gcm-3.

EF TF

V 4 3 0.081
2 kF = N = V N A 2
(2 ) 3
3
3

2
k F2
EF = = 0.9545 10 18 J
2m

k F = (0.324 N A 2 )
1/ 3
1.25 108 cm 1

0.9545 10 18 J
TF = E F / k B = = 6.9 10 4 K
1.38 10 23 J / K

6.2 Ce = 2.08T + 2.57T mJ / mol K

3

N = 6 10 TF
23

2 k BT
CV = N 0 ( )k B
2 EF0

Ce = 2.08T + 2.57T mJ / mol K

3

2 k BT
N0 ( )k B = 2.08 103 mJ / mol K
2 k BTF

2 kB
TF = N 0 = 19624 K
2 2.08 103
6.3
1)
2
3
4
5
2
1 EF =
0
(3 2 n) 2 / 3 k F0 = (3 2 n)1/ 3
2m

36


10.5
n= 106 N A = 0.586 1029 / m3
107.87
m = 9.111031 kg
= 1.05 1034 J s

EF0 = 8.82 1019 J = 5.5eV

EF0
TF = = 6.4 104 K
kB
2)

( k F0 ) 2 2mEF0
EF0 = k F0 = 2
2m

EF0 = 8.82 1019 J k F0 = 1.2 1010 m 1

k F0
3) vF = vF = 1.38 106 m s
m

S = ( k F sin ) = k F sin k F z
0 2 02 2
4)

2
k F0 = (3 2 n)1/ 3 S = (3 2 n) 3 sin 2
5)

1 1 nq 2 ( EF0 )
= =
m

m
( EF ) =
0

nq 2

mvF k
l = vF ( EF ) l= = 2F
0

nq nq
2

1
0 K k F = k F = 1.2 10 m
0 10

q = 1.6 1019 C
n = 0.586 1029 / m3
k F0 = 1.05 1034 J s
l =
nq 2 k F0 = 1.2 1010 m 1
T = 295 K = 1.61106 cm
T = 20 K = 0.038 106 cm

lT = 295 K = 5.24 108 m = 52.4nm

37


lT = 20 K = 2.2 106 m = 2.2 103 nm

6.4 N V T=0K
3 0
1 U = EF
5
2
2 pV = NU
3
2m 3/ 2 1/ 2
N ( E ) = 4 V ( 2 ) E
h
1 ( E EF0 )
T=0 K f ( E ) =
0 ( E > EF0 )

N = 0
N ( E ) f ( E )dE

EF0

U =
0
EN ( E )dE 3
U = EF0
2m 3/ 2 1/ 2 EF0 5
0 h2
) E dE 4 V (

2
p = nU
3
2N 2
p= U pV = NU
3V 3
6.5 r(k) k f0+f1
k
: 296 655
297 658

e f f f0
= (1)
k

e f
f = f0 + (2)
k
f f0 2 f f0
2

e f0
f = f0 + (3)
k

f
f ( r + dr ) = f 0 ( r ) + dr (4)
r
3

38


e
f (k ) = f0 k + (5)

5 k
k
6.6
Gn=0
: k q k

k = k = k f kf

Gn=0N

1
2 k f sin 1 = q (1)
2

q qmax
1/ 3 1/ 3
6 2 3 2
qmax = k f =

1
1
sin 1 = qmax / 2k f = 21/ 3 / 2
2

1 = 2 arcsin ( 21/ 3 / 2 ) 79

79 Gn=0

6.7
1

2 E = ( x , y ,0) H = (0,0, H 0 ) E

39


: (1) B

dk e
= ( + v B ) (1)
dt

e f
f = f0 + ( + v B ) (2)
k

2f f0 2

e f 0
f = f0 + ( + v B ) (3)
k

f 0 f 0 E f 0
= = v (4)
k E k E
43

e f 0 f
f = f0 + ( + v B ) v = f 0 + e 0 v (5)
E E

(2)(5)
HB = (00B0)B = 0H0
BH
f
f0f

f 0
f = f0 + (a)
E

= e v
1

B
(a)(2)

f e f
= ( + v B ) (6)
E k
(a)

f f f 0 f 0
= 0 + + (7)
k k k E E k
47
7

40


f f f
= 0 v+ 0 (8)
k E E k
86

f 0 e f f
= ( + v B ) 0 v + 0
E E E k

e
= e v + ( + v B ) (9)
k

9 / k / k k = m v m
1 * *

2
9

e e 2 2
= k + (B ) k (10)
m* m *2

10a B = 0 H

f 0 e 0 e 2 2
f = f0 + * k + (H ) k (11)
E m m *2

fH
11H

41


7.1InSb me = 0.015m = 18 a = 6.49 A

(1)(2)(3)

m*
1 ED Ei
m0 2

m * Ei 0.014 13.6
ED = = (eV ) = 6.59 104 (eV )
m0 (17) 2

4 2 0 m0 17 0.52
2 a0 = 2
= a0 = ( A) = 6.31102 ( A)6.31108 (m)
m*e m* 0.014

3 InSb N D

1 3 1
(2a ) N D = 1, N D = (
3
) = = 4.98 1020 (m 2 )
2a (2 6.31 108 )3
7.2 k=0 m1=3m2
E-k

E-k

3 3
Si N D = 10 cm 40K 10 cm
15 12
7.3

( EC E F ) / k BT
n0 = N C e (a)

40K

1
n0 = N D [1 f (ED )] = N D ( E F E D ) / k BT (b)
1+ e

42


a b

ND
n0 = (c)
n
1 + 0 e ( E F E D ) / k BT
NC

c EC E D

Ei = EC ED (d)

d c

Ei = k BT ln
(N D n0 )N C (e)
n02

N C (300 K ) = 2.6 10 cm
3
N C T
3/ 2 19

3/ 2
40
N C (40 K ) = 2.6 1019 = 1.266 1018 cm 3
300

Ei = 1.38110 23
40 ln
(10 15
1012 ) 1.266 1018
= 1.156 10 20 J = 0.0722eV
24
10

3
N 1 10 cm 1000cm / V s
15 2
7.4

1 1 1
= = = = 62.42 m
nee 1 10 10 1.602 10 19 1000 10 4
15 6

3
T=300K ni = 1.5 10 cm PN N
10
7.5

N D = 1.5 1016 cm 3 P N A = 1.5 1018 cm 3

T=300K PN

k BT N D N A
VD (Si ) = ln 2

e n
i
1.381 10 23 300 1.5 1016 1.5 1018
= ln
1.602 10 19
1.5 1010
2
(
)
= 0.18eV

43