Thermodynamic properties of some liquid metals using pseudopotential theory

Abstract

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.

Keywords:

• thermodynamic properties
• pseudopotential theory
• PY hard sphere model
• liquid metals