Abstract:
In the context of density functional theory, the phonon density of states and phonon dispersion are calculated for ZnGa$_{2}$Se$_{4}$. The temperature dependence of the heat capacity of ZnGa$_{2}$Se$_{4}$ in the temperature range 5–400 K is obtained. The calculated frequencies and symmetries of phonon modes in the center of the Brillouin zone are in good agreement with experimental data obtained by Raman spectroscopy and infrared spectroscopy.