First-principles calculations of pressure-dependent properties of SiC

We report results of ab initio calculations of pressure-dependent structural, lattice-dynamical, and dielectric properties of cubic 3C and hexagonal 2H and 4H polytypes of silicon carbide (SiC). Our calculations are performed within density-functional theory (DFT) and density-functional perturbation theory (DFPT). We investigate the influence of hydrostatic pressure on the structural parameters, the zone-center phonon frequencies, the tensor of the Born effective charges, and on the dielectric tensor.