Thermodynamic properties of some liquid metals using pseudopotential theory

摘要

The Gibbs-Bogoliubov (GB) inequality is used to evaluate the Helmholtz free energy of some liquid metals. The structural contribution to the Helmholtz free energy is investigated by adopting a Percus-Yevick (PY) hard sphere fluid. A well known single parametric empty core (EMC) local pseudopotential of Ashcroft is applied to describe the electron-ion interaction along with five different local field correction functions viz Hartree (HR), Taylor (TY), Ichimaru-Utsumi (IU), Farid et al. (FR) and Sarkar et al. (SR). 2.18 to 28% of the influence on the Helmholtz free energy is concluded as due to these local field correction functions with respect to the static HR dielectric function. A qualitative agreement with experimental or theoretical results is achieved.