Equations of state and thermodynamic properties of rare-gas solids under pressure calculated using a self-consistent statistical method

Abstract

Equations of states (EOS's) and thermodynamic properties of rare gas solids (RGS's) under pressure are studied by a statistical method. On the basis of empirical effective two-body interactions for Ar, Kr, and Xe close agreement is obtained with experimental data for the pressure dependencies of the Gr\"uneisen parameter and sound velocities as well as for the temperature dependence of the interatomic distance, the heat capacities, the bulk modulus, and Gr\"uneisen parameter at ambient pressures. All these thermodynamic quantities are finally also calculated for 2, 5, and 10 GPa. Most remarkably a strong suppression of the intrinsic anharmonic contributions to the Gibbs free energy is noticed under strong compression and quantitatively evaluated.