Lattice dynamics of solidα- andγ-N2crystals at various pressures

摘要: A previously published interaction potential between ${\mathrm{N}}_{2}$ molecules has been utilized to compute the lattice mode frequencies of solid $\ensuremath{\alpha}$- and $\ensuremath{\gamma}$-${\mathrm{N}}_{2}$ at equilibrium crystal structure corresponding various pressures. Dispersion curves density states are given. These then used calculate heat capacity, Gr\"uneisen parameters throughout Brillouin zone, linear thermal-expansion coefficient, Debye temperatures, temperature-dependent root-mean-square amplitudes vibrations. Whenever comparison with experimental data is possible, good agreement obtained.