Thermodynamic properties and the equation of state of alkali hydride crystals

Abstract

Recently developed interionic potentials are used to evaluate some important thermodynamic quantities and the high‐pressure equation of state of alkali hydride crystals. Values of short range overlap repulsive interactions estimated with the help of overlap integrals along with recent values of van der Waals interactions are used in calculations. Values of the Grüneisen parameter and its volume derivative, the Anderson parameters, volume thermal expansion coefficient, and the Debye temperature are calculated and reported. The high‐pressure equation of state for LiH and NaH are investigated using a detailed picture of the interionic potentials.