Thermodynamics and microstructure of vacancies in rare gas crystals at high temperature

Classical Cryocrystals

Анотація

A self-consistent statistical method is used to calculate the Gibbs free energy of vacancy formation in heavy rare gas crystals at high temperature. It is shown that the vacancy formation free energy rapidly falls in the vicinity of the melting point of the crystal. Such behavior is attributed to approaching the anharmonic instability point of vibrational subsystem of the solid.