Phonons

Linear Chain

Einstein Model

Einstein assumed that all of the 3N normal modes of a crystal containing N atoms have the same frequency ω0. This is not a good model for the dispersion relation but it does a reasonable job in describing the specific heat.

Debye Model

Debye used the long wavelength limit where the density of states increases like ω² up to a cut-off frequency where the density of states is assumed to abruptly go to zero. The cut-off is chosen so that the total number of states is 3N.

Linear chain 2 masses

simple cubic

body centered cubic

And similar expressions for the y and z directions

face centered cubic

And similar expressions for the y and z directions

hexagonal close pack pdf Mathematica notebook

Eigenfunction solutions


And similar expressions for the y and z directions


And similar expressions for the y and z directions

Dispersion relation


Nearest neighbors and next nearest neighbors
From Theoretische Festkörperphysik, Czycholl

The dispersion relation can be expressed as the following determinant

The dispersion relation can be expressed as the following determinant

 = 0


Density of states D(k)

Density of states D(ω)





Nearest neighbors and next nearest neighbors
From Theoretische Festkörperphysik, Czycholl

Energy spectra1 density




Internal energy


The internal energy increases like T² at low temperatures and is linear in T at high temperatures



Helmholtz free energy



Entropy



Specific heat