Dynamical structure of undercooled liquid potassium

Abstract

We perform a quite detailed theoretical investigation of the temperature dependence of the static and dynamical structure factors for undercooled potassium. The static structure factors are calculated from the hybridized mean-spherical approximation (HMSA) form of the integral approximation using pair potentials constructed from a non-local pseudopotential and the dynamical structure factors within the viscoelastic approximation. We show that the characteristic features of the static structure factors as obtained from molecular dynamics simulation are reproduced within the present framework and that, essentially, the general features of at the melting points are still preserved in the undercooled region.