Dynamical properties of pnictide ZnSnP2 from ab initio calculations

Self-consistent density-functional calculations are reported for chalcopyrite structure semiconductor ZnSnP2. Results include lattice parameters obtained from total energy minimization as well as phonon dispersion relations and phonon density of states derivated from the Hellmann-Feynman forces using the direct method. Comparison with experimental data and previous calculations based on phenomenological models shows overall agreement.