Pressure-induced effects in the spectra of collective excitations in pure liquid metals

Abstract

Collective dynamics of metallic melts at high pressures is one of the open issues of condensed matter physics. By means of ab initio molecular dynamics simulations, we examine features of dispersions of collective excitations through transverse current spectral functions, as a function of pressure. Typical metallic melts, such as Li and Na monovalent metals as well as Al, Pb and In polyvalent metals are considered. We firmly establish the emergence of a second branch of high-frequency transverse modes with pressure in these metals, that we associate with the pronounced high-frequency shoulder in the vibrational density of states. Similar correlation also exist with the low frequency modes. The origin of the pressure-induced evolution of transverse excitations in liquid metals is discussed.