An Interionic Potential Model for Crystal Properties of Alkali Hydrides

Abstract

The crystal properties of alkali hydrides have been investigated by means of an interionic potential model which includes the Madelung interaction, the overlap repulsion between first and second neighbours and the van der Waals (vdW) dipole-dipole and dipole-quadrupole interactions. The repulsive force parameters have been determined from the overlap integrals and equilibrium condition. The vdW coefficients have been estimated by us from the Slater-Kirkwood variational method. The cohesive, elastic and thermophysical properties of alkali hydrides have been computed and found to agree reasonably well with their available experimental results.