PHYS 635 Solid State Physics

Take home exam 1

Gregory Eremeev
Fall 2004
Submitted: November 8, 2004
Problem 1:Ashcroft & Mermin, Ch.10, p.189, prob.2
a)

Lets prove
xx = yy = zz =
Z

xx = dr x (r) x (r) U (r) = dr x2 |(r)|2 U (r)

Z
Z
= dr y 2 |(r)|2 U (r) = dr y (r) y (r) U (r) = yy

(1)

Now

Z
0 = xx yy =

dr (x2 y 2 ) |(r)|2 U (r)

(2)

(3)

If we here make the change of variables: x0 = x y; y0 = x + y, which is basically rotation in space, then we
will get
Z
0 = xx yy = dr0 (x0 y0) |(r0)|2 U (r0) = xy = 0
(4)
b) In the case of a simple cubic Bravais lattice with ij (R) negligible for all but the nearest-neighbor
R lets calculate xy (k). We should take into account 6 neighbors:
R = a(1, 0, 0); a(0, 0, 1); a(0, 1, 0)
Z


1 
xy (k) = eikx a dr xy(r) (x a)2 + y 2 + z 2 2 U (r)
Z


1 
ikx a
e
dr xy(r) (x + a)2 + y 2 + z 2 2 U (r)
Z


1 
eiky a dr x(y a)(r) x2 + (y a)2 + z 2 2 U (r)
Z


1 
iky a
e
dr x(y + a)(r) x2 + (y + a)2 + z 2 2 U (r)
Z


1 
eikz a dr xy(r) x2 + y 2 + (z a)2 2 U (r)
Z


1 
ikz a
e
dr xy(r) x2 + y 2 + (z + a)2 2 U (r) = 0

(5)

(6)

, because under rotation transformation xy, y-x each integral changes sign.
c)

The energies are found by setting to zero the determinant:

|((k) Ep )ij + ij + ij (k)| = 0

(7)

First we will prove that



(k) Ep + + xx (k) = (k) lon (k) + 40 cos




1
1
ky a cos
kz a
2
2

(8)

, where 0 (k),0 ,1 and 2 are those from A & M. In nearest-neighbor approximation we will have the 12
nearest neighbors of the origin at
R=

a
a
a
(1, 1, 0); (1, 0, 1); (0, 1, 1)
2
2
2

(9)

In order to prove (6) we should calculate xx (k) in this approximation:

X
xx (k) =
eikR xx (R) =
R

 21 !
a 2
a 2 
e
+ y
+ z2
x
U (r)
2
2

 12 !
Z


2 
2
a
a
a
ia
2
(k
k
)
e 2 x y
dr x x
(r)
x
+ y+
+z
U (r)
2
2
2

 12 !
Z

a 2 
a
a 2
(kx +ky )
2
ia
2
x+
dr x x +
(r)
U (r)
+ y
+z
e
2
2
2

 21 !
Z


2 
2
a
a
a
ia
(k
k
)
2
x
y
x+
U (r)
e 2
dr x x +
(r)
+ y+
+z
2
2
2

1 !
Z


a 2
a
a 2 2
ia
(k
+k
)
2
x
z
x
e 2
dr x x
(r)
+y + z
U (r)
2
2
2
!

Z



2
2  12
a
a
a
a
+ y2 + z +
U (r)
(r)
x
ei 2 (kx kz ) dr x x
2
2
2

1 !
Z


a 2 2
a 2
a
ia
2
(k
+k
)
x
z
e 2
+y + z
(r)
x+
U (r)
dr x x +
2
2
2
1 !

Z


a
a 2 2
a 2
(kx kz )
ia
2
2
dr x x +
e
+y + z+
U (r)
(r)
x+
2
2
2
!

Z

2 
2  12
a
a
ia
(k
+k
)
2
2
e 2 y z
dr x (r)
x + y
+ z
U (r)
2
2

1 !
Z

a 2 
a 2 2
ia
(ky kz )
2
2
2
x + y
+ z+
U (r)
e
dr x (r)
2
2
!

Z

2 
2  12
a
a
ia
(k
+k
)
2
2
y
z
U (r)
e 2
dr x (r)
x + y+
+ z
2
2

1 !
Z

a 2 
a 2 2
ia
(k
k
)
2
2
y
z
e 2
dr x (r)
x + y+
+ z+
U (r)
2
2
ia
2 (kx +ky )

Notice that

a
(r)
dr x x
2




 21 !
a 2 
a 2
2

x
+ y
+z
U (r) = 2
2
2
!

Z

2 
2  12
a
a
dr x2 (r)
x2 + y +
+ z+
U (r) = 0 + 2
2
2
Z

a
dr x x
(r)
2




(10)

(11)

(12)

Thus we have:
 a
a
a
a
xx (k) = ei 2 (kx +ky ) + ei 2 (kx ky ) + ei 2 (kx +ky ) + ei 2 (kx ky )

a
a
a
a
+ ei 2 (kx +kz ) + ei 2 (kx kz ) + ei 2 (kx +kz ) + ei 2 (kx kz ) 2
 a

a
a
a
+ ei 2 (ky +kz ) + ei 2 (ky kz ) + ei 2 (ky +kz ) + ei 2 (ky kz ) (2 + 0 )

(13)

And

a

a

xx (k) = 2cos
(kx + ky ) + 2cos
(kx ky )

2 a

2 a
(kx + kz ) + 2cos
(kx kz ) 2
+ 2cos

2 a

2 a

+ 2cos
(ky + kz ) + 2cos
(ky kz ) (2 + 0 ) =
2 

 2 





1
1
1
1
4cos
kx a cos
ky a + 4cos
kx a cos
kz a
2
2
2
2
2




1
1
+ 4cos
ky a cos
kz a (2 + 0 )
2
2

(14)

Now lets get back to (6):

(k) Ep + + xx (k) =







1
1
1
1
kx a cos
ky a + 4cos
kx a cos
kz a
2 +
(k) Ep + + 4cos
2
2
2
2




1
1
4cos
ky a cos
kz a (2 + 0 ) =
2
2









1
1
1
1
kx a cos
ky a + 4cos
kx a cos
kz a +
(k) Ep + + 4cos
2
2
2
2








1
1
1
1
4cos
ky a cos
kz a 2 + 4cos
ky a cos
kz a 0 =
2
2
2
2




1
1
(k) 0 (k) + 40 cos
ky a cos
kz a
2
2
(15)


The same way one can verify other elements of matrix (10.33) in A & M.

d) For k=0 all
three bands are degenerate and 0 = Ep 122 40 Ep = 0 + 12 2 + 4 0 ;

X - k = 2
a , 0, 0 , where 0 1.
e1 ()
8 2
=1+
(1 cos ( ))
e0
e0

(16)

e2 ()
8 2 + 4 0
=1+
(1 cos ( ))
e0
e0

(17)

the energy band (16) is double degenerate; L - k =

2
a (, , ),

where 0

12 2 + 4 0 4 1
e1 ()
=1+
(sin2 ( ))
e0
e0

1
2

(18)

the energy band (18) is double degenerate,

e2 ()
12 2 + 4 0 + 8 1
=1+
(sin2 ( ))
e0
e0

(19)

Figure 1: Energy bands along X.

Figure 2: Energy bands along L.

Problem 2 Solution was kindly provided by Professor Vinay Ambegaokar
a)

Best done in scalar potential gauge:

H=

b)

p2
p2
~ ~x
+ e(~x) =
eE
2m
2m
1
~ = eE
~
p~ = [~
p, H]
i~

(20)

Best done in the vector potential gauge:

i ~
e~ 2
i~
~ ~x = 1 (~
~xt + eE
p + Et)
H 0 = e ~ E~xt H exp E
~
2m
c
~ p~ = eE
~
Note:Eigenvalues depend on p~(t) = p~0 + eEt,
Shr
odinger equation in this gauge

i~

1
e~ 2
0
=[
(~
p + Et)
+ U (x)] 0 ,
t
2m
c

(21)

(22)

where U(x) is periodic potetial

Z

a(t) d3 x eik0 ~x 0 (~x, t)

Z
~
~
b(t) d3 x ei(k0 K)~x 0 (~x, t)
4

(23)

Assume that only two Fourier components of U are inportant

~

U (x) = Uk eiK~x + Uk eiK~x

~2 ~
e~ 2
da
=
(k1 + Et)
a + Uk b
dt
2m
c
2
~ ~0 e~ 2
db
(k0 + Et) b + Uk a
i~ =
dt
2m
c
~
k~00 = k~0 K
i~

(24)

Note:in this problem inversion symmetry UK = UK is assumed. Time-reversal invariance assures UK = Uk

c)

Remove the diagonal terms by the transformation

i

a
= eh
b = e

i
h

Rt
0

Rt
0

(t0 )dt0
0 (t0 )dt0

(25)

to obtain
Rt
0
0 0
0
i
d
a
= e h 0 [(t ) (t )]dt Uk b
dt
Rt
0
0 0
0
i
db
i~ = e h 0 [(t ) (t )]dt Uk a

dt

i~

(26)

~
The most important time is when the levels cross ~k = ~k 0 = K
2 . The integrand in the expression (20) is then
~2 e ~ ~
e ~ ~
E

K(t

t
).
Define

K.
Note
that

has
units
of
(time)2 . For very weak UK , a
= const 1.
0
m ~
m
2 i 2

db

i~ = ei 2 (tt0 ) e 2 t0 UK
dt
Z
2

i~b = UK
dt ei 2 (tt0 ) phase

(27)

1
The transition from b = 0 to finite b occures on the time scale 2 . In the small UK or strong E limit, this
time is much smaller than the mixing time for a and b, |U~K | . One can then do the integral over all times

2
i
2 (tt0 )

dt e

r
i

(28)

So finally one has

2|Uk |2
|b|2 = |b|2 = 2 2
~

(29)

which is the answer given.

d)

|b2 |  1 is the condition

|Uk |2 

Since K

1
a0

a0 is an atomic length and

~2
ma20

~2 eEK
m

(30)

F a typical electron energy The condition is

eEa0 

|UK |2
f

The opposite of the condition for no electrical breakdown.

(31)