First-principles study of the electronic structure and elastic properties of SrGa2 under pressure

Determination of detailed electronic and lattice dynamical properties of hexagonal SrGa 2 binary system under external pressure with the aid of first-principles calculation methods is of great importance in terms of the basic characteristics of binary system. On this basis, the phonon dispersion curves are calculated by the high-symmetry directions and related phonon frequencies parameters at the Brillouin zone center using density functional...