Lattice dynamics of antimony at high pressure: an ab initio study

Abstract

We report ab initio calculations of the lattice dynamics of antimony as a function of pressure. Analysis of reported Raman data using calculated two-phonon densities of states allows us to weigh the contribution of anharmonicity to the observed broadening upon increase of pressure. We discuss other plausible mechanisms required to account for the pressure dependence of the Raman linewidths.