Sara K. F.

Stofela
Physics 7363, Fall 2017
Homework assignment #8
Oct. 23th, 2017

1) Debye model. The phonon dispersion for a one-dimensional chain of atoms is shown
in Fig. 22.8 of A&M. What would the dispersion look like in the Debye model?

For Debye model, the dispersion (k) is assumed to be a straight line varying linearly with k.

Mathematically, it is expressed as:

() = .

where C is any constant.

The curve for Debye model is shown in the Figure 1.

1
 Figure 1 - In a Debye model, the speed of sound ( ), phase velocity ( ), and group velocity
( ) are equivalent. In contrast, a simple Bornvon Karman model shows signicant curvature of
the phonon dispersion. Font: Toberer, E. S., Zevalkink, A., & Snyder, G. J. (2011). Phonon
engineering through crystal chemistry. Journal of Materials Chemistry, 21(40), 15843-15852.

2) One-dimensional chain with one atom per unit cell: Fig. 22.8 and equation 22.29 of
A&M describe the properties of this system. For longitudinal vibrations, sketch how the
atoms would move for k close to 0 (k<</a) and for k at the Brillouin Zone Boundary (k=/a).
( )
() = = (22.29)

When 0 (k<</a)

| |=|2|
2

So, we get:

1
() = sin 2 = 2 | 2 | =

In this way, the atoms move linearly approaching the origin.

2

For k at Brillouin zone boundary, = ,

| |=1
2

The, we get:

2(1cos ) 1
() = = 2 sin 2 = 2

Therefore, the atoms travel in a straight line parallel to the direction of wave vector.

3) Optical phonons: Optical phonons are called optical because they can in some cases
couple to electromagnetic radiation. This can happen in a one dimensional chain with two
ions of opposite charge per unit cell. This optical mode would create an oscillating dipole and
could be excited by an electromagnetic field. Using conservation of energy and momentum
prove that such an excitation can only occur for an optical mode.

Initial momentum of the optical phonon in the crystal is given by:

Momentum of the optical phonon in the crystal after excitation is given by:

Momentum absorbed by the optical phonon from incident electromagnetic radiation is given by:

Applying the principle of conservation of momentum,

= +

Then, replacing the terms:

3
 = +

Simplifying:

= +

Energy of the optical phonon in the crystal is given by:

2 2
=
2

Energy of the optical phonon in the crystal after excitation is given by:

2 2
=
2

Energy absorbed by the optical phonon from incident electromagnetic radiation is given by:

Applying the principle of conservation of energy:

= +

Replacing the terms:

2 2 2 2
=
2 2

Substituting = + (from momentum conservation):

2 (+ )2 2 2
=
2 2

2
2 + 2 + 2 = 2

2 + 2 = 2

4
 2
+ 2 =

2
= 2

Since 1 < cos < +1, the above equation simultaneously states energy and momentum

conservation, and this occurs only for an optical mode.

4) Consider the normal modes of a linear chain in which the spring constants between
nearest-neighbor atoms are alternately K and 5K. Let the masses be equal, and let the
nearest-neighbor separation be a. Find (k) and sketch in the dispersion relation by eye.
What are (k = 0) and (k = /a)?

Calling C1 and C2, the spring constants, where C1 is the force constant on the right and C2 the force
constant on the left, for one atom, and for another type of atom, C2 is on the right, and C1 is on the
left. By Analogy with Equation 18 of motion in Kittel, we have:

2
= 2 ( ) + 1 (1 )
2
2
= 2 ( ) + 1 (+1 )
2
Leading to:
2
= 2 + 1 1 (1 + 2 )
2
2
= 2 + 1 +1 (1 + 2 )
2

Using the periodic solution of the form:

= ()
= ()
We get this eigenvalue equation:

5
 1 + 2 2 (2 + 1 )

( )( ) = 0
(2 + 1 ) 1 + 2 2

The solutions are:

1
2 = (1 + 2 ) (1 2 + 2 2 + 21 2 cos )2

Now, replacing 1 by K, and 2 by 5K, we have:

1
2 = ( + 5) ( 2 + (5)2 + 2. . 5 cos )2
1
2 = 6 (26 2 + 10 2 cos )2
1
6 (26 2 + 10 2 cos )2
=

For = 0, = 1, then:
1
6 (26 2 + 10 2 )2
=

1
6 (36 2 )2
=

6 6
=

= and =

For = , = 1, then:

1
6 (26 2 10 2 )2
=

1
6 (16 2 )2
=

6
 6 4
=

= and =