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Test I Solutions-1

The document contains a test on solid state physics concepts with 5 multiple choice questions. It defines key terms like unit cell, Wigner-Seitz primitive cell, Brillouin zone, and Miller indices. It also explains the differences between ionic and covalent crystals. Finally, it derives the expression for London interaction and discusses properties of simple cubic crystals like number of lattice points and coordination number. The document provides detailed answers to questions on crystal structures, crystal types, Brillouin zones, and unit cell properties.

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210 views7 pages

Test I Solutions-1

The document contains a test on solid state physics concepts with 5 multiple choice questions. It defines key terms like unit cell, Wigner-Seitz primitive cell, Brillouin zone, and Miller indices. It also explains the differences between ionic and covalent crystals. Finally, it derives the expression for London interaction and discusses properties of simple cubic crystals like number of lattice points and coordination number. The document provides detailed answers to questions on crystal structures, crystal types, Brillouin zones, and unit cell properties.

Uploaded by

Joshua
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Download as DOCX, PDF, TXT or read online on Scribd
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Department of Applied Physics

PNG University of Technology

Test I: AP 352 Solid State Physics

Q. 1. Explain the following terms related to crystal structure

(a) Unit Cell (b) Wigner – Seitz primitive cell

(c) Brillouin Zone (BZ) (d) Miller Indices (h k l)

Answer:

(a) A unit cell is a primitive cell is a minimum–volume cell. There is a density of one lattice point
per primitive cell.
(b) A primitive cell is a type of cell or unit cell. A primitive cell is a minimum–volume cell.
There are many different ways of choosing the primitive axes and primitive cell for a given
lattice. For all choices the number of atoms in the primitive basis will be the same. There is a
density of one lattice point per primitive cell. There are lattice points at the eight corners of the
parallelepiped, but each corner point is shared among the eight cells that touch each there.
The volume of a cell defined by axes a, b, c is
Vc = |a x b. c|
The basis associated with a lattice point of a primitive cell may be called a primitive basis. The
cell formed in this way is called as a Wigner-Seitz primitive cell.

(c) Brillouin Zones

A Brillouin Zone is defined as a Wigner-Seitz cell in the reciprocal lattice. The Brillouin Zone
gives a vivid geometrical interpretation of the diffraction condition 2k.G = G2 or
k . (1/2 G2) = (1/2 G)2
We construct a plane normal to the vector G at the midpoint; any vector k from the origin to the
plane will satisfy the diffraction condition. The plane thus described forms a part of the zone
boundary.
An x-ray beam incident on the crystal will be diffracted if its wavevector has the magnitude and
direction required, and the diffracted beam will be in the direction of the vector k – G.
The set of planes that are the perpendicular bisectors of the reciprocal lattice vectors are of
particular importance in the theory of wave propagation in crystals, because a wave whose
wavevector drawn from the origin satisfy the conditions for diffraction. These planes divide the
Fourier space of the crystal into odd bits and pieces as in the figure below. The central square is a
primitive cell of the reciprocal lattice.

(d) Miller indices, group of three numbers that indicates the orientation of a plane or set of
parallel planes of atoms in a crystal.
Example: Let the x -, y -, and z - intercepts are 2, 1, and 3, the Miller indices are calculated as:
Take reciprocals: 1/2, 1/1, 1/3. Clear fractions (multiply by 6): 3, 6, 2. Reduce to lowest terms.
Miller indices are used to specify directions and planes. These directions and planes could be in
lattices or in crystals. The number of indices will match with the dimension of the lattice or the
crystal.
Example of the (1 1 1) plane:

Example of the (101) plane:


Q. 2. (a) Explain briefly about ionic crystals and covalent crystals.

(b) Derive the expression for London –Interaction.

Answer:

(a) Ionic Crystals

Ionic crystals are made up of positive and negative ions. The ionic bond is the result of
electrostatic interaction between oppositely charged ions. Two common examples of ionic
crystal structures, are the sodium chloride and the cesium chloride structures.
The electronic configurations of all ions of a simple ionic crystal corresponds to closed electronic
shells, as in the inert gas atoms.

Covalent Crystals
The covalent bond is the classical electron pair or homopolar bond. It is a strong bond: the bond
between two carbon atoms in diamond has a cohesive energy of 7.3 eV with respect to separated
neutral atoms.

(b) Van der Waals-London Interaction

Consider two identical inert gas atoms at a separation R large in comparison with the radii of the
atoms. What interactions exist between the two neutral atoms? If the charge distribution on the
atoms were rigid, the interaction between the two atoms would be zero, because the electrostatic
potential of a spherical distribution of electronic charge is canceled outside a neutral atom by the
electrostatic potential of the charge on the nucleus.

Coordinates of the two oscillators


As a model we consider two identical linear harmonic oscillators 1 and 2 separated by R. Each
oscillator bears charges ±e with separation x1 and x2. The particle oscillates along the x axis. Let
p1 and p2 denote the momenta. The force constant is C. The Hamiltonian of the unperturbed
system is
H0 = (1/2m)(p12) + ½ Cx12 + (1/2m)(p22) + ½ Cx22 (1)
The uncoupled oscillators each have the resonance frequency ω0 = (C/m)1/2 approximate to a
simple harmonic oscillator.
Let H1 be the coulomb interaction energy of the two oscillators. The inter nuclear coordinate is R
H1 = e2/R + e2/(R + x1 – x2) - e2/(R + x1) + e2/(R – x2) (2)
In the approximation |x1|, |x2| ≤ R we expand the above equation in lowest order
H1 = - (2e2 x1x2/R3) (3)
The total Hamiltonian with the approximate form (3) for H1 can be diagonalized by the normal
mode transformation
xs = 1/√2(x1 + x2) ; xa = 1/√2(x1 - x2) (4)
or, on solving x1 and x2,
x1 = 1/√2(xs + xa) ; x2 = 1/√2(xs – xa) (5)
The subscript s and a denote symmetric and antisymmetric modes of motion. Further, we have
the momenta ps, pa associated with the two modes:
p1 = 1/√2(ps + pa) ; p2 = 1/√2(ps – pa) (6)
The total Hamiltonian H0 + H1 after the transformations (5) and (6)
H = [(1/2m)ps2 + ½(C – 2e2/R3) xs2] + [(1/2m)pa2 + ½(C + 2e2/R3) xa2] (7)
The two frequencies of the coupled oscillators are found by inspection of (7) to be
ω = [(C ± 2e2/R3) m]1/2] ≈ ω0 [(1 ± ½(2e2/CR3) - 1/8(2e2/CR3)]2 + ---] (8)
with ω0 given by (C/m)1/2.
The zero point energy of the system is 1/ħ(ωs + ωa); because of the interaction the sum is lowered
from 2.(1/2 ħω0) by
ΔU = ½ ħ((Δωs + Δωa) = - ħω0. 1/8(2e2/CR3)2 = - A/R6 (9)
This is an interaction which varies as the minus sixth power of the separation of two oscillators.
This is the van der Waal’s interaction, known also as the London interaction or the induced
dipole-dipole interaction. It is the principal attractive interaction in crystals and inert gases and
also in crystals of many organic molecules. The interaction is a quantum effect, in the sense that
ΔU → 0 and ħ →0. Thus the zero point energy of the system is lowered by the dipole-dipole
coupling of equation (3).

Q. 3. What is the number of lattice points per unit cell of a simple cubic crystal? What is its coordination
number?

Answer:

Lattice points on the face of a unit cell are shared between two unit cells and are worth 1/2 of a
lattice point per unit cell. Lattice points contained entirely within the unit cell are worth one
lattice point per unit cell.
The number of lattice points per unit cell of a simple cubic crystal is 1.

An atom in a simple cubic lattice structure contacts six other atoms, so it has a coordination


number of six.

Q. 4. Distinguish between primitive and non-primitive unit cells?

Answer:

Primitive unit cells contain only one lattice point, which is made up from the lattice points at
each of the corners. Non-primitive unit cells contain additional lattice points, either on a face of
the unit cell or within the unit cell, and so have more than one lattice point per unit cell.

Q. 5. How do we determine the first ‘Brillouin Zone’ of a crystal?

Answer:

First Brillouin Zone


The central cell in the reciprocal lattice is of special importance in the theory of solids, we call it
the first Brillouin zone. The first Brillouin zone is the smallest volume entirely enclosed by
planes that are the perpendicular bisectors of the reciprocal lattice vectors drawn from the
origin. The first Brillouin zone is an oblique lattice in two dimensions as shown in the figure
below

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