5/31/25, 12:47 AM DeepSeek - Into the Unknown

Detailed Solutions to the Problems

1. Concept of Lattice and Basis (3 Marks)

Lattice:

A lattice is an infinite, periodic arrangement of points in space where each point has identical
surroundings. Mathematically, a lattice is defined by translation vectors a1 , a2 , a3 such that ​ ​ ​

any lattice point R can be written as:

R = n1 a1 + n2 a2 + n3 a3 ,
​ ​ ​ ​ ​ ​ (n1 , n2 , n3 ∈ Z)
​ ​ ​

Illustration:

In 2D, a square lattice has basis vectors a1 ​ = ax^, a2 = ay^. ​ ​

In 3D, a cubic lattice has a1 ​ = ax^, a2 = ay^, a3 = az^.

​ ​ ​

Basis:

A basis is a group of atoms (or molecules) associated with each lattice point. The crystal
structure is formed by placing the basis at every lattice point.

Illustration:

In NaCl, the basis consists of one Na+ and one Cl− ion.

In diamond, the basis is two carbon atoms at (0, 0, 0) and ( 14 , 14 , 14 ). ​ ​ ​

Conclusion:

Lattice = Mathematical framework (points).

Basis = Physical content (atoms/molecules).

2. Plane (hkl) in a Crystal Lattice (4 Marks)

(a) Prove that G = hb1 + kb2 + lb3 is perpendicular to the (hkl) plane.
​ ​ ​

Step 1: Define reciprocal lattice vectors b1 , b2 , b3 : ​ ​ ​

a2 × a3
b1 = 2π , (cyclic permutations)
​ ​

a1 ⋅ (a2 × a3 )
​ ​

​ ​ ​

https://chat.deepseek.com/a/chat/s/50225dda-0af1-45b5-ad81-2582f1cb811c 1/17
5/31/25, 12:47 AM DeepSeek - Into the Unknown

Step 2: A plane (hkl) intercepts the direct lattice axes at ah1 , ak2 , al3 . ​

​
​

​
​

Step 3: Two vectors in the plane are:

a1 a2 a1 a3
u= − , v= −
​ ​ ​ ​

h k h l
​ ​ ​ ​

Step 4: Show G ⋅ u = 0 and G ⋅ v = 0:

a1 a2
G ⋅ u = (hb1 + kb2 + lb3 ) ⋅ ( − ) = 2π − 2π = 0
​ ​

h k
​ ​ ​ ​

Similarly, G ⋅ v = 0.

Conclusion: G is perpendicular to the (hkl) plane.

2π
(b) Prove that the interplanar distance dhkl ​ = ∣G∣ . ​

^:
Step 1: The distance between adjacent planes is the projection of any lattice vector onto G

a1 G
dhkl = ⋅
​

h ∣G∣
​ ​ ​

Step 2: Since G ⋅ a1 ​ = 2πh:

2πh 2π
dhkl = =
h∣G∣ ∣G∣
​ ​ ​

2π
Conclusion: The interplanar spacing is dhkl ​ = ∣G∣
. ​

3. Volume of the First Brillouin Zone (3 Marks)

Show that the volume of the first Brillouin zone is (2π)3 /Vc , where Vc is the primitive cell ​ ​

volume.

Step 1: Define the Primitive Cell Volume

Vc = a1 ⋅ (a2 × a3 )
​ ​ ​ ​

Step 2: Reciprocal Lattice Vectors

a2 × a3 a3 × a1 a1 × a2
b1 = 2π , b2 = 2π , b3 = 2π
​ ​ ​ ​ ​ ​

Vc Vc Vc
​ ​ ​ ​ ​ ​

​ ​ ​

https://chat.deepseek.com/a/chat/s/50225dda-0af1-45b5-ad81-2582f1cb811c 2/17
5/31/25, 12:47 AM DeepSeek - Into the Unknown

Step 3: Volume of the First Brillouin Zone

The Brillouin zone is the Wigner-Seitz cell of the reciprocal lattice. Its volume is:

VBZ = b1 ⋅ (b2 × b3 )
​ ​ ​ ​

Using the vector identity:

(c × a) × (a × b) = [c ⋅ (a × b)]a

We compute:

a3 × a1 a1 × a2
b2 × b3 = (2π ) × (2π )
​ ​ ​ ​

Vc Vc
​ ​ ​ ​

​ ​

Using the identity:

(2π)2 (2π)2 (2π)2

= [(a3 × a1 ) × (a1 × a2 )] = [(a3 × a1 ⋅ a2 )a1 ] = a1
Vc2 Vc2 Vc
​ ​ ​ ​ ​ ​ ​ ​ ​ ​ ​ ​

​ ​ ​

Now, dot with b1 : ​

(2π)2 (2π)3
VBZ = b1 ⋅ ( a1 ) =
Vc Vc
​ ​ ​ ​ ​

​ ​

(2π)3
Conclusion: The volume of the first Brillouin zone is .
Vc
​ ​

Final Summary

1. Lattice & Basis: Lattice is a mathematical grid; basis is the physical unit repeated at each
lattice point.
2π
2. Reciprocal Lattice Vector G: Perpendicular to (hkl) plane, and dhkl ​
= ∣G∣ .
​

(2π)3
3. Brillouin Zone Volume: Derived using reciprocal vectors, VBZ ​ = Vc . ​
​

These steps rigorously solve the given problems in solid-state physics. Let me know if you
need further clarification!

image.png
PNG 173.93KB

Explain in detail and solve them step by step

https://chat.deepseek.com/a/chat/s/50225dda-0af1-45b5-ad81-2582f1cb811c 3/17
5/31/25, 12:47 AM DeepSeek - Into the Unknown

Detailed Solutions to the Problems

1. Standing Waves at Brillouin Zone Boundaries (4 Marks)

Objective:

Show that the solution to the dispersion relation ω(K) at the Brillouin zone (BZ) boundaries
is a standing wave.

Step 1: Dispersion Relation for a Monoatomic Chain

Consider a 1D monoatomic chain with lattice spacing a. The dispersion relation for phonons
is:

β Ka
ω(K) = 2 sin ( )
m 2
​ ​ ​ ​ ​

where:

β = force constant,
m = atomic mass,
K = wave vector.

Step 2: Brillouin Zone Boundaries

The first BZ extends from K = − πa to K = πa . At the BZ boundary:

​ ​

π
K=±
a
​

Substitute into ω(K):

π β π β
ω (± ) = 2 sin (± ) = 2
a m 2 m
​ ​ ​ ​ ​ ​ ​ ​

This is the maximum frequency.

Step 3: Wave Solution at BZ Boundary

The general wave solution is:

un (t) = Aei(Kna−ωt)
​

https://chat.deepseek.com/a/chat/s/50225dda-0af1-45b5-ad81-2582f1cb811c 4/17
5/31/25, 12:47 AM DeepSeek - Into the Unknown

At K = πa , the solution becomes:

​

un (t) = Aei( a na−ωt) = Aei(πn−ωt) = A(−1)n e−iωt

π
​

This represents a standing wave because:

The spatial part (−1)n alternates between atoms (no propagation).

The time dependence e−iωt is common to all atoms.

Step 4: Physical Interpretation

At K = ± πa , the phase difference between adjacent atoms is π (180°), causing destructive

​

interference and no net energy propagation.

The wave reflects back, forming a standing wave.

Conclusion:

At the BZ boundaries, the solution is a standing wave due to Bragg reflection.

2. Einstein’s Theory of Specific Heat (6 Marks)

Objective:

Derive Einstein’s expression for specific heat and explain how it resolves the low-temperature
discrepancy.

Step 1: Classical Theory (Discrepancy)

Dulong-Petit Law: CV ​ = 3N kB (constant at high T ).

​

Problem: At low T , experiments show CV ​ → 0, but classical theory predicts CV = 3N kB

​ ​

Step 2: Einstein’s Quantum Model

Assumes all atoms vibrate at a single frequency ωE (Einstein frequency). ​

Quantized energy levels: En ​ = (n + 12 ) ℏωE .

​ ​

Step 3: Partition Function

The partition function for one oscillator:

https://chat.deepseek.com/a/chat/s/50225dda-0af1-45b5-ad81-2582f1cb811c 5/17
5/31/25, 12:47 AM DeepSeek - Into the Unknown
∞ ∞
−βEn −βℏωE /2 −nβℏωE e−βℏωE /2 ​

Z= ∑e ​

=e ​

∑e ​

=
1 − e−βℏωE
​ ​ ​

n=0 n=0

1
where β = kB T .
​
​

Step 4: Average Energy

∂ ln Z ℏωE ℏωE
⟨E⟩ = − = + βℏωE
​ ​

∂β 2 e −1
​ ​ ​

For N oscillators:

N ℏωE N ℏωE
U = N ⟨E⟩ = + ℏωE /kB T
​ ​

2 e −1
​ ​

​ ​

Step 5: Specific Heat Capacity

2
∂U ℏωE eℏωE /kB T ​ ​

CV = ( ) = N kB ( )
​

2
∂T V kB T
​ ​ ​ ​ ​ ​

(eℏωE /kB T ​ ​

− 1)
ℏωE ΘE ℏωE
Let x = = (Einstein temperature ΘE = ):
​ ​

kB T T kB
​ ​ ​ ​

​ ​

x2 ex
C V = N kB x
(e − 1)2
​ ​ ​

This is the Einstein function.

Step 6: Low-Temperature Behavior

At low T (T ≪ ΘE , x ≫ 1): ​

CV ≈ N kB x2 e−x → 0
​ ​
(exponentially)

Matches experimental observation (CV ​ → 0 as T → 0).

Resolves the classical discrepancy.

Conclusion:

Einstein’s theory introduces quantization, explaining the drop in CV at low T via the Einstein ​

function:

2
ΘE eΘ E /T ​

CV = 3N kB ( )
​

T 2
​ ​ ​ ​ ​

( eΘ E /T − 1 ) ​

https://chat.deepseek.com/a/chat/s/50225dda-0af1-45b5-ad81-2582f1cb811c 6/17
5/31/25, 12:47 AM DeepSeek - Into the Unknown

Final Summary

1. Standing Waves at BZ Boundaries:

At K = ± πa , the wave solution becomes a standing wave due to Bragg reflection.

​

2. Einstein’s Specific Heat Theory:

Quantization explains CV ​ → 0 at low T via the Einstein function.

These solutions rigorously address the given problems in solid-state physics. Let me know if
you need further clarification!

image.png
PNG 266.81KB

Explain in detail and solve them step by step

Detailed Solutions to the Problems

1. Free Electron Model and Its Modifications (3 Marks)

Free Electron Model:

Assumptions:

Electrons move freely in a constant potential (no lattice ions).

No electron-electron or electron-ion interactions.

ℏ2 k 2
Energy dispersion: E(k) = 2m
​.

Shortcomings:
Fails to explain:

Existence of band gaps (insulators/semiconductors).

Effective mass differences in crystals.

Temperature dependence of conductivity.

Need for Modifications:

1. Nearly Free Electron Model (NFEM):

Introduces weak periodic potential V (r).

https://chat.deepseek.com/a/chat/s/50225dda-0af1-45b5-ad81-2582f1cb811c 7/17
5/31/25, 12:47 AM DeepSeek - Into the Unknown

Explains band gaps via Bragg reflection at Brillouin zone boundaries.

Matches experimental observations better than the free electron model.

2. Tight-Binding Model:

Accounts for strong atomic potentials.

Useful for describing d-band metals and insulators.

3. Most Accurate Model:

Density Functional Theory (DFT) matches experiments best but is computationally
intensive.

NFEM is the simplest model that agrees well with observations (e.g., electronic bands
in metals).

Conclusion:

The free electron model is insufficient; the nearly free electron model (with periodic potential
corrections) aligns best with experiments.

2. Kronig-Penney Model (4 Marks)

(a) Energy of the Lowest Band at k = 0 for P ≪ 1

Step 1: Kronig-Penney Equation

sin(αa) mV0 ba
cos(ka) = cos(αa) + P , P =
​

αa ℏ2
​ ​

For delta potential (b → 0, V0 → ∞, P finite).

​

Step 2: At k
= 0, P ≪ 1
Expand cos(ka) and sin(ka) for small k :

(ka)2 (αa)2 (αa)2

1− ≈1− + P (1 − )
2 2 6
​ ​ ​

For k = 0:

(αa)2
1≈1− + P ⟹ αa ≈ 2P
2
​ ​

Step 3: Energy Calculation

https://chat.deepseek.com/a/chat/s/50225dda-0af1-45b5-ad81-2582f1cb811c 8/17
5/31/25, 12:47 AM DeepSeek - Into the Unknown
2 2
ℏα ℏ2 (2P ) ℏ2 P
E= = =
2m 2ma2 ma2
​ ​ ​

Answer:

ℏ2 P
E≈
ma2
​ ​

(b) Band Gap at k = π/a

Step 1: At k = π/a, the equation becomes:

sin(αa)
−1 = cos(αa) + P
αa
​

Step 2: Band Edges

For αa ≈ π , let αa = π + δ , where δ ≪ 1:

δ2 −δ
−1 ≈ −1 + +P
2 π
​ ​

Solve for δ :

δ≈± 2P /π ​

Step 3: Band Gap Calculation

ℏ2 (π ± δ)2 ℏ2 π 2 2δ
E± = ≈ ( 1 ± )
2ma2 2ma2 π
​ ​ ​ ​

Band gap ΔE :

2ℏ2 πδ 2ℏ2 π 2P 2ℏ2

ΔE = E+ − E− = = = 2πP
ma2 ma2 π ma2
​ ​ ​ ​ ​ ​ ​ ​

Answer:

2ℏ2
ΔE ≈ 2πP
ma2
​ ​ ​

3. Effective Mass in Semiconductors (3 Marks)

Concept:

https://chat.deepseek.com/a/chat/s/50225dda-0af1-45b5-ad81-2582f1cb811c 9/17
5/31/25, 12:47 AM DeepSeek - Into the Unknown

Electrons in a crystal respond to external fields as if they have a modified mass m∗ , due to
interactions with the lattice potential.

Expression:

1 1 d2 E
= 2 2
m∗ ℏ dk
​ ​ ​

Derived from the curvature of the E(k) band.

Impact on Charge Carriers:

1. Mobility:

Light m∗ (e.g., GaAs) ⟹ high mobility.

Heavy m∗ (e.g., Si) ⟹ lower mobility.
2. Density of States:

m∗ affects carrier concentration in bands.

3. Transport Properties:
Determines conductivity σ = neμ, where μ ∝ 1/m∗ .

Example:

In Si, m∗e ​ ≈ 0.26me , m∗h ≈ 0.36me .

​ ​ ​

Conclusion:

Effective mass bridges quantum mechanics and classical transport, critical for semiconductor
device design.

Final Summary

1. Free Electron Model: Modified to NFEM for band structure accuracy.

2. Kronig-Penney Model:

Lowest band energy at k = 0: E ≈ ℏ2 P /ma2 .

Band gap at k = π/a: ΔE ≈ (2ℏ2 /ma2 ) 2πP . ​

3. Effective Mass: m∗ governs carrier dynamics in semiconductors.

These solutions rigorously address the problems in solid-state physics. Let me know if you
need further clarification!

https://chat.deepseek.com/a/chat/s/50225dda-0af1-45b5-ad81-2582f1cb811c 10/17
5/31/25, 12:47 AM DeepSeek - Into the Unknown

image.png
PNG 324.19KB

Explain in detail and solve them step by step

Detailed Solutions to the Problems

1. Hexagonal Close-Packed (HCP) Structure (5 Marks)

(a) Prove the ideal c/a ratio for HCP is 8/3 ≈ 1.633
​

Step 1: Geometry of HCP

HCP has 2 layers of atoms:

Bottom layer (A): Atoms at corners and center of a hexagon.

Top layer (B): Atoms above the "voids" of layer A.

Step 2: Lattice Parameters

Let a = side length of the hexagon.

Let c = height between two A layers.

Step 3: Nearest-Neighbor Distance

In the same layer (A-A), distance = a.

Between adjacent layers (A-B), distance = a2 /3 + c2 /4 . ​

Step 4: Ideal Packing Condition

For closest packing, all nearest-neighbor distances must be equal:

a 2 c2
a= +
3 4
​ ​ ​

Square both sides:

2 a 2 c2 2a2 c2
a = + ⟹ =
3 4 3 4
​ ​ ​

Solve for c/a:

https://chat.deepseek.com/a/chat/s/50225dda-0af1-45b5-ad81-2582f1cb811c 11/17
5/31/25, 12:47 AM DeepSeek - Into the Unknown

c 8
= ≈ 1.633
a 3
​ ​ ​

Conclusion:

8
The ideal c/a ratio for HCP is ≈ 1.633 .
3
​ ​ ​

(b) Lattice Constant a for Sodium’s HCP Phase

Given:

BCC lattice constant abcc ​ = 4.23 Å.

Density remains unchanged during transition.

HCP c/a ratio is ideal ( 8/3 ).

​

Step 1: Calculate BCC Density

BCC has 2 atoms per unit cell. Volume of BCC cell:

Vbcc = a3bcc = (4.23 Å)3

​ ​

Density ρ:

2 atoms
ρ=
Vbcc
​

Step 2: Calculate HCP Density

HCP has 6 atoms per unit cell. Volume of HCP cell:

3 3 2 3 3 3 8
Vhcp = a c= a = 3 2a3
​ ​

2 2 3
​ ​ ​ ​ ​ ​

Density must equal BCC density:

6 2
=
3 2a3 (4.23)3
​ ​

Solve for a:

3 6 × (4.23)3 4.23
a = ⟹ a = 1/6 ≈ 3.77 Å
6 2 2
​ ​

Conclusion:

The HCP lattice constant for sodium is 3.77 Å . ​

https://chat.deepseek.com/a/chat/s/50225dda-0af1-45b5-ad81-2582f1cb811c 12/17
5/31/25, 12:47 AM DeepSeek - Into the Unknown

2. Reciprocal Lattice (3 Marks)

Definition:

The reciprocal lattice is a mathematical construct in Fourier space (k-space) derived from the
direct (real-space) Bravais lattice. Its vectors G satisfy:

eiG⋅R = 1 ∀ R in the direct lattice.

Proof: Reciprocal Lattice is Bravais

1. Primitive Vectors:
For direct lattice vectors a1 , a2 , a3 , reciprocal vectors are:
​ ​ ​

a2 × a3
b1 = 2π , (cyclic permutations)
​ ​

a1 ⋅ (a2 × a3 )
​ ​

​ ​ ​

2. Closure Under Translation:

Any reciprocal lattice vector G = hb1 + kb2 + lb3 (h, k, l ∈ Z) is a linear combination
​ ​ ​

with integer coefficients.

3. Identical Environment:
All points in the reciprocal lattice are equivalent under translation by G.

Conclusion:
The reciprocal lattice is a Bravais lattice.

3. Drawing Planes in FCC (2 Marks)

Plane (112):

1. Intercepts: 1a, 1a, 12 c. ​

2. FCC Positions:

Corners: (0, 0, 0).

Face centers: (0.5, 0.5, 0), (0.5, 0, 0.5), etc.

3. Plot:

Connects (1, 0, 0), (0, 1, 0), and (0, 0, 2).

Passes through atoms at (1, 1, 0) and (0.5, 0.5, 1).

Plane (120):
https://chat.deepseek.com/a/chat/s/50225dda-0af1-45b5-ad81-2582f1cb811c 13/17
5/31/25, 12:47 AM DeepSeek - Into the Unknown
1
1. Intercepts: 1a, 2 b, ∞ (parallel to c-axis).
​

2. FCC Positions:

Intersects x-axis at (1, 0, 0), y -axis at (0, 0.5, 0).

3. Plot:
A vertical plane cutting through (1, 0, 0) and (0, 0.5, 0).

Visualization:

(112): Slanted plane intersecting 3 axes.

(120): Vertical plane parallel to z -axis.

Final Summary

1. HCP Structure:

Ideal c/a = 8/3 .

​

Sodium’s HCP a = 3.77 Å.

2. Reciprocal Lattice: A Bravais lattice by construction.

3. FCC Planes:

(112): Connects (1, 1, 0) and (0.5, 0.5, 1).

(120): Vertical plane through (1, 0, 0) and (0, 0.5, 0).

These solutions rigorously address the problems in crystallography. Let me know if you need
further clarification!

image.png
PNG 222.82KB

Explain in detail and solve them step by step

Detailed Solutions to the Problems

1. Number of Wave Functions in an Energy Band (5 Marks)

https://chat.deepseek.com/a/chat/s/50225dda-0af1-45b5-ad81-2582f1cb811c 14/17
5/31/25, 12:47 AM DeepSeek - Into the Unknown

Objective:

Using the Kronig-Penney model, show that the number of possible wave functions in any
energy band equals the number of unit cells N .

Step 1: Kronig-Penney Model Basics

The Kronig-Penney model describes electrons in a 1D periodic potential:

V (x) = ∑ V0 δ(x − na)

​ ​

where a is the lattice constant.

Step 2: Bloch’s Theorem

The wave function ψ(x) in a periodic potential satisfies:

ψ(x + a) = eika ψ(x)

where k is the wave vector.

Step 3: Boundary Conditions

For a crystal with N unit cells and periodic boundary conditions:

ψ(x + N a) = ψ(x)

Combining with Bloch’s theorem:

eikN a = 1 ⟹ kN a = 2πm (m ∈ Z)

Thus, k is quantized:

2πm
k=
Na
​

Step 4: Number of Allowed k -States

The first Brillouin zone (BZ) spans k ∈ [− πa , πa ]. ​ ​

2π
The spacing between k -states is Δk = Na . ​

Total number of k -states in the BZ:

2π/a
Number of k-states = =N
Δk
​

Step 5: Conclusion

https://chat.deepseek.com/a/chat/s/50225dda-0af1-45b5-ad81-2582f1cb811c 15/17
5/31/25, 12:47 AM DeepSeek - Into the Unknown

Each energy band corresponds to one k -state per unit cell. Therefore, the total number of
wave functions in any energy band is N .​

2. Kronig-Penney Model for Delta Potential (5 Marks)

(a) Energy of the Lowest Band at k = 0 for P ≪ 1

Step 1: Kronig-Penney Equation

sin(αa) mV0 ba
cos(ka) = cos(αa) + P , P =
​

αa ℏ2
​ ​

For a delta potential (b → 0, V0 → ∞, P finite).

​

Step 2: At k
= 0, P ≪ 1
Expand cos(ka) and sin(αa) for small k and α:

(ka)2 (αa)2 (αa)2

1− ≈1− + P (1 − )
2 2 6
​ ​ ​

For k = 0:

(αa)2
1≈1− + P ⟹ αa ≈ 2P
2
​ ​

Step 3: Energy Calculation

ℏ2 α 2 ℏ2 (2P ) ℏ2 P
E= = =
2m 2ma2 ma2
​ ​ ​

Answer:
ℏ2 P
The energy of the lowest band at k = 0 is E ≈ .
ma2
​ ​

(b) Band Gap at k = π/a

Step 1: Kronig-Penney Equation at k = π/a

sin(αa)
−1 = cos(αa) + P
αa
​

Step 2: Band Edges Near αa =π

Let αa = π + δ , where δ ≪ 1:
https://chat.deepseek.com/a/chat/s/50225dda-0af1-45b5-ad81-2582f1cb811c 16/17
5/31/25, 12:47 AM DeepSeek - Into the Unknown

δ2 −δ
−1 ≈ −1 + +P
2 π
​ ​

Solve for δ :

2P
δ≈±
π
​ ​

Step 3: Band Gap Calculation

ℏ2 (π ± δ)2 ℏ2 π 2 2δ
E± = 2
≈ 2
(1 ± )
2ma 2ma π
​ ​ ​ ​

Band gap ΔE :

2ℏ2 πδ 2ℏ2 π 2P 2ℏ2

ΔE = E+ − E− = = = 2πP
ma2 ma2 π ma2
​ ​ ​ ​ ​ ​ ​ ​

Answer:
2ℏ2
The band gap at k = π/a is ΔE ≈ 2πP .
ma2
​ ​ ​

Final Summary

1. Number of Wave Functions:

Each energy band contains N states (one per unit cell).

2. Kronig-Penney Model:

Lowest band energy at k = 0: E ≈ ℏ2 P /ma2 .

Band gap at k = π/a: ΔE ≈ (2ℏ2 /ma2 ) 2πP . ​

These solutions rigorously address the problems in solid-state physics. Let me know if you
need further clarification!

https://chat.deepseek.com/a/chat/s/50225dda-0af1-45b5-ad81-2582f1cb811c 17/17