Quiz 1

Q1.Draw a plan view of hep unit cell and give coordinates of all the atoms. Are all the atoms located at
equivalent sites? Discuss implications of your answer.
 
Q2. Draw 111 and  013 directions in cubic lattice
   
Q3.What are Brillouin zones? Discuss the construction of the first three Brillouin zones for a square
lattice.
Q4.Determine the reciprocal lattice vectors, which define the Brillouin zones of bcc and fcc lattices.
Quiz 2
Q1. Explain the briefly
a. State the failure of the Thomas fermi Model
b. Differentiate between Hohenberg Kohn theorems and Kohn Sham equation
 Mid

Q1. Can an exchange-correlation functional be derived from a many body solvable Schrödinger
equation? [5]
Q2. What make the applications of the of Thomas-Fermi model limited. [5]
Q3. What is packing efficiency?What are its values for sc, bcc,fcc and hcp structures? [5]
Q4. Calculate the angles which [111] direction of a cubic lattice makes with [100] and [110]
directions. [5]
Q5. Show (111) and (222) planes in a cubit; Unit cell of side a. Compute the distances of these planes
from a parallel plane passing through the origin. [5]
Q6. What is the reciprocal lattice and why is it named so? Derive the relationships for the primitive
translation vectors of the reciprocal lattice in terms of those of the direct lattice. [5]
 Final
Q1. What is Born Oppenheimer approximation, differentiate between Born Oppenheimer,
Generalized Gradient and Local Density Approximations [8]
Q2. What’s the seen behind the DFT discovery? Briefly describe the Hohenberg Kohn theorems. [6]
Q3. a. Differentiate between ferro-magnetism and paramagnetism. Explain the observed variation of
susceptibility with temperature for ferromagnetism. [9]
b. Briefly discuss slater determinant. [3]
Q4. Explain the briefly [12]
I. Bloch's Theorem
II. Augmented Plane Wave Scheme
III. The Concept of LAPW Method
IV. The full-potential linearized augmented plane wave method (FP-LAPW)
Q5. Explain the briefly [12]
I. Dielectric function
II. Theory of Optical Properties (OP)
III. Dielectric Function
IV. Intra-band Transitions
V. Inter-band transitions
Q6. Mid.
Q1. Derive an expression for the scattering amplitude in terms of geometrical structure factor for fcc
crystals. Find the values h, k and l for allowed reflections.
Q2. What is the reciprocal lattice and why is it named so? Derive the relationships for the primitive
translation vectors of the reciprocal lattice in terms of those of the direct lattice.
Q3.