EP3220: Solid State Physics; Quiz II [Full marks: 20]

Date: 18/03/2024, Time: 8:00 - 8:50 AM

Instructions:
(i) Answer all the questions.
(ii) If you think the question has errors, justify the error, make changes and proceed.
(iii) Similarly, if you think the question is incomplete and it lacks information, then you are free to
include additional information with proper justification and then proceed.
(iv) The vectors are represented by bold letters.
(v) Some information are provided at the end of the question paper which you may
find useful.

1. As per Drude’s theory which of the following statement(s) are correct? (2 Marks)
1
A) The electron distribution function in terms of energy (ε) is given by f (ε) = e(ε−µ)/kB T +1
B) The velocity is proportional to the temperature.
C) Every electron does not participate in the transport.
D) A state with a given energy can be occupied by more than two electrons.

2. The state of an electron in a one-dimensional (1D) crystal is defined using a Bloch function
which has the form Ψnk = eikx unk (x). Which of the following function(s) can appropriately
represent unk (x)? (2 Marks)

π(x/a)2
(A) sin ( 2πx ), (B) cos ( 2πx ), (C) e−
px
a a
2 , (D) | a |.

3. For a given Hamiltonian, the band structure of a 1D lattice in the extended-zone scheme is
as shown below. (2 Marks)

Draw the band structure in the reduced-zone scheme.

4. An energy dispersion relation is given by E(k) = ta [kx sin (kx a) + ky sin (ky a)]. Find the ve-
locity of electrons at (kx = 0, ky = πa ) in the momentum space. Here, t has the dimension of
energy and a is the lattice parameter. (3 Marks)

1
 UG eiGx .
P
5. For a 1D lattice with lattice constant a, a weak periodic potential is given by U =
Few of the values of UG as follows U0 = 0 eV , U± 2π = 0.5 eV and U± 4π = 1eV . Find the value
a a
of the band gap at the first Brillouin zone boundary ( i.e. at k = ± πa ). (2 Marks)

6. Show that, within the framework of Sommerfeld theory the density of levels/states (g(ε)) for
a 1D crystal is proportional to √1ε . (2 Marks)

7. Write the expression of a full Hamiltonian operator without any approximation for a given
mono-atomic 3D lattice. Assume that the atom is composed of an ion of charge Ze and some
valence electrons. (2 Marks)

8. Suppose the electrons are confined in a box of size 5a × 4a × 3a with periodic

boundary conditions. Here, a has the dimension of the length. (5 Marks)

(a) Express Born-von Karman (or periodic) boundary conditions.

(b) Find out the electron eigenstates and eigenvalues using Sommerfeld theory.

(c) Calculate the EF if there are only 20 electrons available to fill.

(d) Will the shape of the Fermi surface be spherical or ellipsoid for this system?

Useful Information:

1. Electron density n can be expressed as,

Z
dk
n= f (ε(k))
4π 3
Z
= g(ε) f (ϵ) dϵ

2
 EP3220: Solid State Physics
Quiz-II Solution

1. As per Drude’s theory which of the following statement(s) are correct? (2 Marks)
1
A) The electron distribution function in terms of energy (ε) is given by f (ε) = e(ε−µ)/kB T +1
B) The velocity is proportional to the temperature.
C) Every electron does not participate in the transport.
D) A state with a given energy can be occupied by more than two electrons.

Solution B, D.

2. The state of an electron in a one-dimensional (1D) crystal is defined using a Bloch function
which has the form Ψnk = eikx unk (x). Which of the following function(s) can appropriately
represent unk (x)? (2 Marks)

π(x/a)2
(A) sin ( 2πx ), (B) cos ( 2πx ), (C) e−
px
a a
2 , (D) | a |.

Explanation Bloch function has to follow the condition

unk (x + a) = unk (x)

Solution A, B.

3. For a given Hamiltonian, the band structure of a 1D lattice in the extended-zone scheme is
as shown below. (2 Marks)

Draw the band structure in the reduced-zone scheme.

3
 Solution

4. An energy dispersion relation is given by E(k) = ta [kx sin (kx a) + ky sin (ky a)]. Find the ve-
locity of electrons at (kx = 0, ky = πa ) in the momentum space. Here, t has the dimension of
energy and a is the lattice parameter. (3 Marks)

Solution Given,
E(k) = ta [kx sin (kx a) + ky sin (ky a)]

So,  
1 ∂E ta
vx = = [sin (kx a) + (kx a) cos (kx a)]
h̄ ∂kx h̄
 
1 ∂E ta
vy = = [sin (ky a) + (ky a) cos (ky a)]
h̄ ∂ky h̄

Now, at (kx = 0, ky = πa ) the velocity will be,

     
tkx 2 tky 2 tπ
vx = a = 0 and, vy = − a =− a2 ,
h̄ h̄ h̄

UG eiGx .
P
5. For a 1D lattice with lattice constant a, a weak periodic potential is given by U =
Few of the values of UG as follows U0 = 0 eV , U± 2π = 0.5 eV and U± 4π = 1eV . Find the value
a a
of the band gap at the first Brillouin zone boundary ( i.e. at k = ± πa ). (2 Marks)

Solution The band gap at the first Brillouin zone (k = ± πa ) is given by, = 2|U± 2π | = 1 eV .
a

6. Show that, within the framework of Sommerfeld theory the density of levels/states (g(ε)) for
a 1D crystal is proportional to √1ε . (2 Marks)

4
 Solution The density of particles in the range k to k+dk for 1D crystal is dk. Therefore the
electron density can be written as (using eq 2.60 from book):
Z Z  
dk dk
n= f (ε(k)) = f (ε(k))
2π 2π

h̄2 k2 h̄2 kdk

changing the integral in terms of energy using the relation, ε = 2m
and dε = m
or,
dk = h̄√m2mε dε we get,
Z   
1 mdε
n=2 √ f (ε)
2π h̄ 2mε
Compared with the expression, gives us,

1
g(ε) ∝ √
ε
7. Write the expression of a full Hamiltonian operator without any approximation for a given
mono-atomic 3D lattice. Assume that the atom is composed of an ion of charge Ze and some
valence electrons. (2 Marks)
Solution
X p̂2 X p̂2 1 X Z 2 e2 1 X e2 X Ze2
Ix ix
H= + + + −
I,x
2MI i,x
2mi 2 I̸=J RIJ 2 i̸=j rij I,i
|RI − ri |

8. Suppose the electrons are confined in a box of size 5a × 4a × 3a with periodic

boundary conditions. Here, a has the dimension of the length. (5 Marks)

(a) Express Born-von Karman (or periodic) boundary conditions.

(b) Find out the electron eigenstates and eigenvalues using Sommerfeld theory.

(c) Calculate the EF if there are only 20 electrons available to fill.

(d) Will the shape of the Fermi surface be spherical or ellipsoid for this system?

Solution

a) The Born-von Karman boundary conditions are,

ψ(x + 5a, y, z) = ψ(x, y, z),

ψ(x, y + 4a, z) = ψ(x, y, z),
ψ(x, y, z + 3a) = ψ(x, y, z).

5
b) The electron eigenstates,

1
ψk (r) = √ eik·r
5a × 4a × 3a
with the boundary conditions,
2πnx
kx = ,
5a
2πny
ky = ,
4a
2πnz
kz = .
3a
where, nx , ny , nz are integers.
And, the eigenvalues are,

h̄2
4π 2 h̄2 n2x n2y n2z

 
E= kx2 + ky2 + kz2 = + +
2m 2ma2 25 16 9

c) Let’s fill up each state with two electrons in increasing order of energy,
2 2
s nx ny nz E ( 4π h̄
2ma2
)
1 1.0 0.0 0.0 0.040000
2 0.0 1.0 0.0 0.062500
3 1.0 1.0 0.0 0.102500
4 0.0 0.0 1.0 0.111111
5 1.0 0.0 1.0 0.151111
6 2.0 0.0 0.0 0.160000
7 0.0 1.0 1.0 0.173611
8 1.0 1.0 1.0 0.213611
9 2.0 1.0 0.0 0.222500
10 0.0 2.0 0.0 0.250000

So, the Fermi energy is,

4π 2 h̄2 22 0
 
0
EF = + +
2ma2 25 16 9
d) The shape of the Fermi surface will be ellipsoidal.