Phonons:

Quantum Mechanics of Lattice Vibrations

 What is a Phonon?
• We’ve seen that the physics of lattice vibrations in a
crystalline solid reduces to a CLASSICAL normal mode
problem.
• The goal of the entire discussion has been to find the
normal mode vibrational frequencies of the solid.
• In the harmonic approximation, this is achieved by first
writing the solid’s vibrational energy as a system of coupled
simple harmonic oscillators & then finding the classical
normal mode frequencies & ion displacements for that system.
• Given the results of these classical normal mode calculations,
in order to treat some properties of the solid,
it is necessary to QUANTIZE
these normal modes.
• These quantized normal modes of vibration are called
PHONONS
• PHONONS are massless quantum mechanical particles
which have no classical analogue. They behave like
particles in momentum space or k space.
• Phonons are one example of many like this in many areas of
physics. Such quantum mechanical particles are often called
“Quasiparticles”
Examples of other Quasiparticles:
• Photons: Quantized Normal Modes of electromagnetic waves.
• Rotons: Quantized Normal Modes of molecular rotational excitations.
• Magnons: Quantized Normal Modes of magnetic excitations in solids
• Excitons: Quantized Normal Modes of electron-hole pairs
• Polaritons: Quantized Normal Modes of electric polarization
excitations in solids
+ Many Others!!!
 Comparison of Phonons & Photons
PHONONS
• Quantized normal modes
of lattice vibrations. The
energies & momenta of
phonons are quantized
h s
E phonon 

h
p phonon 

Phonon wavelength:
λphonon ≈ a0 ≈ 10-10 m
 Comparison of Phonons & Photons
PHONONS PHOTONS
• Quantized normal modes • Quantized normal modes
of lattice vibrations. The of electromagnetic waves.
energies & momenta of The energies & momenta
phonons are quantized of photons are quantized
h s hc
E phonon  E photon 
 
h h
p phonon  p photon 
 
Phonon wavelength: Photon wavelength: (visible)
λphonon ≈ a0 ≈ 10-10 m λphoton ≈ 10-6 m
 Quantum Mechanical Simple Harmonic Oscillator
• Quantum mechanical results for a simple harmonic
oscillator with classical frequency ω:
• The energy is quantized:
 1
 n   n   n = 0,1,2,3,..
 2

The energy ε
levels are 
equally spaced! 


 Often, we consider εn as being constructed by adding n
excitation quanta of energy  to the ground state.
1 Ground state energy
 0  
E
2 of the oscillator.
If the system makes a transition from a lower energy level
to a higher energy level, it is always true that the change in
energy is an integer multiple of 
Phonon absorption ΔE = (n – n΄) 
or emission. n & n ΄ = integers
In complicated processes, such as phonons interacting with
electrons or photons, it is known that The Number of
Phonons is not conserved. That is, they can be created and
destroyed during such interactions.
Thermal Energy & Lattice Vibrations
•As we’ve been discussing in detail, the atoms in
a
crystal vibrate about their equilibrium positions.
•This motion produces vibrational waves.
The amplitude of this vibrational
motion increases as the temperature
increases.

•In a solid, the energy associated with these

vibrations is called the Thermal Energy
• A knowledge of the thermal energy is
fundamental to obtaining an understanding many
of the basic (thermodynamics) properties of
solids.
Examples: Heat Capacity, Entropy,
Helmholtz Free Energy,
Equation of State, etc....
• A relevant question is how do we calculate this
thermal energy?
• Also, we would like to know how much thermal
energy is available to scatter a conduction electron
in a metal or semiconductor.
• This is important; this scattering contributes to electrical
• Most important is that this thermal energy
plays a fundamental role in determining the
Thermal Properties of a Solid
• A knowledge of how the thermal energy
changes with temperature gives an
understanding of the heat energy which is
necessary to raise the temperature of the
material.
• An important, measureable property of a solid
is it’s
Specific Heat or Heat Capacity
 Lattice Vibrational Contribution
to the Heat Capacity
•The thermal energy is the dominant contribution to the
heat capacity in most solids. In non-magnetic insulators,
it is the only contribution. Some other contributions are:
Conduction Electrons in metals & semiconductors.
Magnetic ordering in magnetic materials.
•A calculation of the vibrational contribution to the
thermal energy & heat capacity of a solid has 2 parts:
1. Evaluation of the contribution of a single
vibrational mode.
2. Summation over the frequency distribution
of the modes.
 Classical Theory of the Heat Capacity of Solids
• Assume that each atom is bound to its neighbors by
harmonic forces. When heated, the atoms vibrate
around their equilibrium positions as a set of coupled
harmonic oscillators. Assuming Classical (Maxwell
Boltzmann) Statistics & using the Equipartition
Theorem, the thermal average energy for a 1D
oscillator is kBT. So, the thermal average energy
per atom, regarded as a 3D oscillator, is 3 kBT, so the
energy per mole in the solid is:
<> = 3NkB T
N is Avagadro’s number,
kB is Boltzmann constant
• The classical thermal average the energy
per mole in the solid: <> = 3NkB T
• Formally, the molar heat capacity at constant
volume, Cv , is given by the temperature
derivative of the mean energy:

d
Cv 
dT
So, classically, Cv = 3R
(R = gas constant)
This is known as the Dulong-Petit Law
Vibrational Specific Heat of Solids
cp Data at T = 298 K
 The Molar Heat Capacity
Experimentally, the Dulong-Petit Law, however, is
found to be valid only at high temperatures.

15
 Quantum Thermal Energy & Heat Capacity
•• The
TheQuantized
Quantized Energy
Energyof ofaasingle
single    n  1  
simple  
simpleharmonic
harmonic oscillator
oscillatoris:
n
is:  2 
•• First,
First,calculate
calculatethe
themean
meanthermal
thermalenergy
energyof ofone
onemode,
mode,
then,
then,sum
sumover
overmodes
modestotofind
findthe
themean
meanthermal
thermalenergy
energy
due
duetotoall
allmodes.
modes.From
FromthetheCanonical
Canonical Ensemble
Ensembleof of
Statistical
StatisticalMechanics,
Mechanics, thetheMean
MeanEnergy
Energyof ofaaharmonic
harmonic
oscillator
oscillator&&&&hence
henceofofaalattice
latticemode
modeof
offrequency
frequencyωωatat
temperature
temperatureTThashasthe
theform:
form: _    Pn n
n

••In
Inthe
theCanonical
CanonicalEnsemble,
Ensemble,thetheprobability
probabilityPPnnof
ofthe
the
oscillator
oscillatorbeing
beingininenergy levelnnatattemperature
energylevel temperatureTTisis
proportional
proportionalto:
to: exp( n / k BT )
Now, some straightforward math manipulation!
Thermal Averaged Energy: _   P 
n n
Putting in the explicit form gives: n


 1   1 
_  
n 0 
n 
2
   exp 
 
 
n 
2
   / k T
B 

 
  1  (*)

n 0
exp 
 
 
n 
2


  / k T
B 


The Partition Function for this problem is:


1 
z   exp[( n  ) ]
n0 2 k BT
z  e   / 2 kBT  e 3  / 2 k BT  e5  / 2 kBT  .....
z  e   / 2 kBT (1  e   / kBT  e 2  / k BT  .....
z  e   / 2 kBT (1  e   / kBT ) 1
 The thermal averaged energy can thus be written
_
1 z 
  k BT 2  k BT 2 (ln z )
z T T
_
2   e   / 2 k B T 
  k BT ln  
T  1  e   / kBT 
_
    / 2 k B T
  k BT 2
T  ln e  ln 1  e   / k BT
 

_       
  k BT 2   
T 2 k T
 
 T
ln 1 
 e   / k B T
 
(ln x) 
x'
  B   x x
   k B   / k B T 
_  2k  k 2T 2 e  1   e   / k B T
  k BT  2 2 
2 B B
   
 B4 k T 
1 e   / k BT
 2 
1  e   / k BT 
 

Finally, the   1  
_

 / k B T
result is: 2 e 1
 _
1  (1)
      / k B T
2 e 1
•This is the Mean Phonon Energy. The first term in (1)
is
called the Zero-Point Energy. As mentioned before, even
at 0 K the atoms vibrate in the crystal & have a Zero
Point Energy. This is the minimum energy of the system.
•The thermal average number of phonons n(ω) at
temperature T is given by The Bose-Einstein (or Planck)
Distribution, & the denominator 1 of the second term in (1)
is often written: n( )  
e k BT
1
 _
1  1
      / k B T (1) n( )   (2)
2 e 1 e k BT
1
•By using (2) in (1), (1) can be rewritten:
<> = ћω[n() + ½] (1)
•In this form, the mean energy <> looks analogous to a
quantum mechanical energy level for a simple harmonic
oscillator. That is, it looks similar to:

•So the 2nd term in the mean energy (1) is interpreted as

The number of phonons at temperature
T & frequency ω.
  Mean energy
of a harmonic
1
oscillator as a
 k BT
2 function of T.
T
Consider the Low Temperature Limit:
 k BT
_
1 
      / k B T T  0, Exponential  1
2 e 1
_
1
   Zero Point Energy
2
  Mean energy
of a harmonic
1
oscillator as a
 k BT
2 function of T.
T
Consider the High Temperature Limit:
 
<< k BT
_
1 
      / k BT
2 e 1
Taylor’s Series expansion of the exponential:
2
x 

ex  1 x   .......... e k BT
 1
2! k BT
  Mean energy
of a harmonic
1
oscillator as a
 k BT
2 function of T.
T
High Temperature Limit:

 
<< k BT


e  1 k BT

k T B

_
1 
This gives:     OR _
1
2 1

1      k BT
k BT 2
_
Finally:   kBT
  Mean energy
of a harmonic
1
oscillator as a
 k BT
2 function of T.
T
High Temperature Limit:
 k BT
<<
_
 k T B
•In this limit, the Mean Energy is independent of frequency.
•This is the classical limit because the energy steps
are very small compared with the harmonic oscillator
energy. So, the high temperature limit gives the thermal
energy of the classical 1D harmonic oscillator,
calculated with classical (Maxwell-Boltzmann) statistics.
 Heat Capacity Cv
• The heat capacity Cv is found by differentiating
the average phonon energy
_
1 
     / k B T
2 e 1
  k B 

  

2
  e k BT
e k BT

 kBT 
2
d Cv  k B
 
Cv  
 k BT 
2 2

 

2
dT 1


e k BT
1 e k BT


 2
Let    eT
k Cv  k B   
 
2
 T  e T 1
 2 

  e T
•The specific heat in this
Cv  k B  
 
2
T  e

T
1 approximation vanishes
exponentially at low T &
 tends to the classical
 value at high T.
k
•These features are
Cv
common to all quantum
kB systems; the energy tends
 to the zero point-energy
Area =
2 at low T & to the

T classical
kB value at high T.
 •The specific heat at constant volume depends on
temperature as shown qualitatively in figure below. At
high temperatures, T, Cv is close to 3R, where R is the
universal gas constant. R  2 cal/K-mole. So, at high
temperatures Cv  6 cal/K-mole.
3R •From the figure. it can be seen
that Cv = 3R at highT
Cv regardless of the substance.
This fact is known as the
T,K Dulong-Petit law. This states
that the specific heat of a given
number of atoms of any solid is
independent of temperature & is
the same for all materials!
Einstein Model for the Heat Capacity
of Lattice Vibrations
• The theory of Cv(T) proposed by Einstein was the
first use of quantum theory to understand
the physics of solids.
• He made the (absurd!) assumption that all 3N vibrational
modes of a 3D solid of N atoms have the same
frequency, so that the solid has a heat capacity 3N times
2 

  e T

Cv  k B  
 
2
T  e

T
1
 Einstein Model for Lattice Vibrations in a Solid
Cv vs T for Diamond
Einstein, Annalen der Physik 22 (4), 180 (1907)

Points:
Experiment
Curve:
Einstein Model
Prediction
• In this model, the atoms are treated as
independent oscillators, but the energy of the
oscillators is quantum mechanical.
• This refers to an isolated oscillator, but the atomic
oscillators in a solid are not isolated. They
continually exchange energy with neighboring atoms.
• Even this crude model gives the correct limit at
high temperatures: The heat capacity of the
Dulong-Petit law:
Cv = 3R
 •At high temperatures, all crystalline solids have a
specific heat of 6 cal/K per mole; they require 6
calories per mole to raise their temperature 1 K.
•This agreement between observation and classical
theory
breaks down if T is low. Experiments show that at room
temperature & below the specific heat of crystalline
solids is strongly temperature dependent.
•In each material, C
v
Cv
asymptotically approaches
cal the classical value 3R at
6
Kmol high T. But, at low T, Cv
decreases to zero. This
completely contradicts
T the classical result.

Cv  3R
kB
• The Einstein model also correctly gives a
specific heat tending to zero at T  0.
• But the, temperature dependence near
T= 0 does not agree with experiment.
• By more accurately taking into account the
actual distribution of vibrational
frequencies in a solid, this can be
corrected using a model due to Peter Debye.
 Thermal Energy & Heat Capacity
Debye Model
Density of States
From Quantum Mechanics, if a particle is constrained; the
energy of particle can only have discrete energy values. It
cannot increase infinitely from one value to another. It has
to go up in steps.
 • These steps can be so small depending on the system that
the energy can be considered as continuous.
• This is the case of classical mechanics.
• But on atomic scale the energy can only jump by a discrete
amount from one value to another.

Definite energy levels Steps get small Energy is continuous

• In some cases, each particular energy level can be
associated with more than one different state (or
wavefunction )
• This energy level is said to be degenerate.

• The density of states is the number of discrete

 ( )
states per unit energy interval, and so that the number
of states between and is .
   d
 ( )d 
There are two sets of waves for solution;
• Running waves
• Standing waves
Running waves:
0 k
4 2 2 4 6
 
L L L L L
These allowed k wavenumbers corresponds to the running
waves; all positive and negative values of k are allowed. By
means of periodic boundary condition an integer
Na 2 2 2
L  Na  p     k  pk  p Length of
p k Na L the 1D chain

These allowed wavenumbers are uniformly distibuted in k at a

density of  R  k  between k and k+dk.
L
running waves  R  k  dk  dk
2
 Standing waves: 5 4 3
L L L
6
k L 2
0  2 3 L
L L L 7 0 
L L

In some cases it is more suitable to use standing waves,i.e. chain

with fixed ends. Therefore we will have an integral number of half
wavelengths in the chain;
n 2 2 n n
L  ;k  k  k 
2  2L L

These are the allowed wavenumbers for standing waves; only

positive values are allowed.
2 for  for
k p k p
L running waves L standing waves
These allowed k’s are uniformly distributed between k and k+dk
at a density of  S (k )

L
 S (k )dk  dk DOS of standing wave

L
 R  k  dk  dk DOS of running wave
2

•The density of standing wave states is twice that of the running waves.
•However in the case of standing waves only positive values are
allowed
•Then the total number of states for both running and standing waves
will be the same in a range dk of the magnitude k
•The standing waves have the same dispersion relation as running
waves, and for a chain containing N atoms there are exactly N distinct
states with k values in the range 0 to  / a .
 The density of states per unit frequency range g():

• The number of modes with frequencies  and +d

will be g()d.
• g() can be written in terms of S(k) and R(k).

dR
modes with frequency from  to +d corresponds

dn
modes with wavenumber from k to k+dk
 dn   R (k )dk  g ( )d ; dn   S (k )dk  g ( )d

Choose standing waves to obtain g ( )

g ( )   S (k ) dk
d
Let’s remember dispersion relation for 1D monoatomic lattice

4K 2 ka K ka
 
2
sin 2 sin
m 2 m 2

d 2a K ka 1
 cos g ( )   S (k )
dk 2 m 2 K ka
a cos
m 2
 1 m 1
g ( )   S ( k )
a K cos  ka / 2 
sin 2 x  cos 2 x  1  cos x  1  sin 2 x  ka  2  ka 
cos    1  sin  
 2   2 
1 m 1 4 Multibly and divide
g ( )   S (k )
a K  ka  4
1  sin 2  
 2 
Let’s remember:
1 2 L
g ( )   S (k )  S (k )dk  dk
a 4K 4K 2  ka  
 sin  
m m  2  L  Na
4K 2  ka 
g ( ) 
L2 1  
2
sin  
 a max m  2 
2
2 4K
True density of states max 
2

m
 g ( )
2N 2
g ( ) 

 max   
2 1/ 2

N m
True density of states by
 K means of above equation

K K
max 2 
m m
constant density of states

K
True DOS(density of states) tends to infinity at max  2 ,
m
since the group velocity d / dk goes to zero at this value of .
Constant density of states can be obtained by ignoring the
dispersion of sound at wavelengths comparable to atomic spacing.
 The energy of lattice vibrations will then be found by
integrating the energy of single oscillator over the distribution
of vibration frequencies. Thus

1  
       / kT   g    d 
0
2 e 1 

2N 2
Mean energy of a harmonic 
 max    for 1D
2 1/ 2

oscillator

One can obtain same expression of g ( ) by means of using

running waves.

It should be better to find 3D DOS in order to compare the

results with experiment.
 3D DOS
• Let’s do it first for 2D
• Then for 3D.
• Consider a crystal in the shape of 2D box with crystal lengths of L.

y ky

+ -  L
L
L
- +

+ -
0 x kx
L

Standing wave pattern for a 2D Configuration in k-space

box
•Let’s calculate the number of modes within a range of
wavevector k.
•Standing waves are choosen but running waves will lead
same expressions.
•Standing waves will be of the form

U  U 0 sin  k x x  sin  k y y 

• Assuming the boundary conditions of

•Vibration amplitude should vanish at edges of
x  0; y  0; x  L; y  L
positive integer
Choosing
p q
kx  ; ky 
L L
 y ky
+ -  
L L
L - +
+ -
0 x kx
L

Standing wave pattern for a Configuration in k-space

2D box
•The allowed k values lie on a square lattice of side 
in /the
L
positive quadrant of k-space.
•These values will so be distributed uniformly with a density of
 per unit area.
2
L / 
• This result can be extended to 3D.
 L
Octant of the crystal:
kx,ky,kz(all have positive values)

The number of standing waves;

L 3
L 3 V 3
s  k  d k    d k  3 d k
3

L   
1
L /  4 k 2 dk
8
kz V 1
 s  k  d k  3  4 k 2 dk
3

 8
2
Vk
 s  k  d 3k  2 dk
dk

2
k ky Vk 2
S  k   2
2
kx
 Vk 2
•   k   2 is a new density of states defined as the number of
2
states per unit magnitude of in 3D.This eqn can be obtained by

using running waves as well.

• (frequency) space can be related to k-space:
dk
g    d     k  dk g      k
d

Let’s find C at low and high temperature by means of using the

expression of g . 
 High and Low Temperature Limits

Each of the 3N lattice d

  3Nk BT modes of a crystal C C  3 Nk B
containing N atoms dT

• This result is true only if T
kB 
At low T’s only lattice modes having low frequencies can be
excited from their ground states;

 Low frequency long 

sound waves

  vs k vs 
k
 k
0
a
  k 1 dk 1 Vk 2 dk
vs      and g   2
k  vs d vs 2 d 

 2 
V 2 
 vs  1
g    at low T
2 2 vs
vs depends on the direction and there are two transverse, one
longitudinal acoustic branch:

V2 1 V2  1 2 
g    g    2  3
 3
2 vs
2 3
2  vL vT 

Velocities of sound in longitudinal and transverse direction

 
1  
       / kT   g    d Zero point energy =  z
0
2 e 1 


1   V  2  1 2  
       / kT   2  3  3  d  x
0
2 e  1  2  vL vT 
k BT
 V  1 2   

 3
   z  2  3  3      / kT d  k BT
 2  vL vT   0  e
  1   x
  
3
 k BT  3 k BT

     x kT d  dx
V  1 2 k T
4 3
 d    x 
4  
  z  2  3  3  B 3
2  vL vT   15 0
 e  / kT
 1 0
e  1
B


dx 

 k BT 
 4 
 3
x3
0 e / kT  1 d  3 0 e x  1dx
   
 4 15

3
d 2  1 2   k BT 
Cv   V  kB  3  3  
2
 at low temperature
dT 15 v
 L vT   
 How good is the Debye approximation at low T?
3
d 2  1 2   k BT 
Cv   V  kB  3  3  
2

dT 15 v
 L vT    

The lattice heat capacity of solids

thus varies as T 3at low
temperatures; this is referred to
as the Debye T 3 law. Figure
illustrates the excellent
agreement of this prediction with
experiment for a non-magnetic
insulator. The heat capacity
vanishes more slowly than the
exponential behaviour of a
single harmonic oscillator
because the vibration spectrum
extends down to zero frequency.
 The Debye interpolation scheme
The calculation of g (is) a very complicated calculation for 3D, so it
must be calculated numerically.
Debye obtained a good approximation to the resulting heat capacity by
neglecting the dispersion of the acoustic waves, i.e. assuming

  s k
for arbitrary wavenumber. In a one dimensional crystal this is equivalent
to taking as given by the broken line of density of states figure
rather than full curve. Debye’s approximation gives the correct answer in
either the high and low temperature limits, and the language associated
g ( )
with it is still widely used today.
 The Debye approximation has two main steps:
1. Approximate the dispersion relation of any branch by a linear
extrapolation of the small k behaviour:
Debye
Einstein approximation
approximation to to the dispersion
the dispersion   vk
 Debye cut-off frequency  D
2. Ensure the correct number of modes by imposing a cut-off
frequency , above
D which there are no modes. The cut-off
freqency is chosen to make the total number of lattice modes
correct. Since there are 3N lattice vibration modes in a crystal
having N atoms, we choose so that D

D V2 1 2 
g ( )  ( 3  3) V 1 2 D 2
 2 2 vL3 vT3 0
g ( )d   3 N 2 vL vT
2 (  )  d  3N
0

V 1 2 V 1 2 3N 9N
(  )D3  3 N (  )  3 
6 2 3
vL vT 3
2 2 vL3 vT3 D3 D3

9N 2
g ( )   g ( ) /  2
D
3
 
1 
The lattice thermal energy is E   (    / kBT )g ( )d
0
2 e 1

9N
D
1  9 N  D
  3 D
 3 
E 3 0 ( 2   e / kBT  1) d  D3  0 2 d  0 e / kBT  1d 
becomes 2

D  

D
9 9N  3 d 
and, E  N  D  3
8 D 
0
e  / k B T  1

First term is the estimate of the zero point energy, and all T dependence is in the
second term. The heat capacity is obtained by differentiating above eqn wrt
temperature.
 dE
The heat capacity is C
dT
D
9 9N
D
 d 3
dE 9 N  2 4 e / kBT
E  N  D  3  CD   3  d
dT D  
2 2
8 D 0
e  / k B T  1 0
k BT e / kBT  1

Let’s convert this complicated integral into an expression for the

specific heat changing variables to
 d kT
x 
kT  x
k BT dx  
 D
and define the Debye temperature D 
kB
The Debye prediction for the lattice specific heat

4 D / T
dE 9 N k BT  k BT     2
x 4e x
CD   3    2   dx
dT D      k BT   e  1
x 2
0

3  /T
 T  D
x 4e x
CD  9 Nk B    dx
 D  e  1
x 2
0

where  D
D 
kB
How does CD limit at high and low temperatures?

High temperature T  D

x2 x3
x is always small e  1 x 
x
 
2! 3!

x 4e x x 4 (1  x ) x 4 (1  x )
   x 2

 e  1  
2 2 2
x
1  x  1 x

3  /T
 T  D

T  D  CD  9 Nk B 

 D
 
0
x 2 dx  3Nk B
 How does CD limit at high and low temperatures?

Low temperature T  D

For low temperature the upper limit of the integral is infinite; the
integral is then a known integral of .
4 4 /15
3  /T
 T  D
x 4e x
T  D  CD  9 NkB    dx
 e  1
2
 D 0
x

We obtain the Debye T 3 law in the form

3
12 Nk B  T 
4
CD   
5 
 D
 Lattice heat capacity due to Debye interpolation scheme
3 D / T
 T  x 4e x
CD  9 Nk B    dx
 e  1
2
Figure shows the heat capacity  D 
x
0
C
between the two limits of high and
3 Nk B T
low T as predicted by the Debye 1
interpolation formula.

Because it is exact in both high and low T limits Lattice heat capacity of a solid as
predicted by the Debye interpolation
the Debye formula gives quite a good scheme
representation of the heat capacity of most
solids, even though the actual phonon-density 1
T / D
of states curve may differ appreciably from the
Debye assumption.
Debye frequency and Debye temperature scale with the velocity of sound in the solid.
So solids with low densities and large elastic moduli have high  D . Values of  D for
various solids is given in table. Debye energyD can be used to estimate the
maximum phonon energy in a solid.
Solid Ar Na Cs Fe Cu Pb C KCl
D (K )
93 158 38 457 343 105 2230 235
 Cv vs T for Diamond

Points:
Experiment

Curve:
Einstein Model
Prediction
 Vibrational Density of States (Aluminum)
Solid Curve:
From X-Ray
Experiment

Dashed Curve:
Debye
Approximation
Debye Density of States
 Cv vs T

Solid Curve:
Debye
Approximation

Dashed Curve:
Einstein Model