Density of states of a monatomic simple cubic crystal in the tight-binding approximation

The density of states was calculated by taking 4 × 10⁶ random points in the first Brillouin zone, calculating the energy of the points, and plotting the distribution of the resulting energies. Since there are 2 states per atom, the integral of the density of states over the whole band should be 2.

The files used to generate the density of states are dosCubic.m, genKVectorsCubic.m, and plotDOS.m.

The tabulated density of states can be used to calculate the temperature dependence of thermodynamic quantities.

• Chemical potential μ
• Energy spectral density u(E)
• Internal energy density u(T)
• Specific heat c_v(T)