Dynamics of Liquid Lithium Atoms. Pseudopotential and EAM-Type Potentials

Abstract

© 2018, Pleiades Publishing, Inc. It is generally accepted that the complicated character of the interparticle interaction in liquid metals is reproduced most correctly by many-particle potentials of the EAM-type (embedded atom model) interparticle interaction. It is shown that in the case of liquid lithium near the melting temperature (Tm = 453.65 K), the spherical pseudopotential provides a better agreement with experimental data on elastic and inelastic X-ray scattering as compared to the known EAM potentials. The calculations of the dynamic structural factor and spectral densities of the longitudinal and transverse atomic currents lead to the conclusion that although the pseudopotential and EAM potentials generate a certain qualitative correspondence in the features of collective dynamics, the interparticle interaction of the spherical type reproduces correctly the general form of the dynamic structure factor in a certain wavenumber range, as well as the dispersion relation for collective excitations.