Study of cohesion and thermodynamic properties of alkali halide crystals

Rehana Tahira, S.N.Choudhary,

Abstract

An interionic forcemodel extended to the next nearest neighbours (NNN) and taking into account the contributions arising from van der Waals (vdW) dipole – dipole and dipole quadrupole interactions and three – body (TB) interactions is used to calculate cohesive energy (W), isothermal bulk modulus (BT), Moelwyn – Hughes parameter (C1), Debye temperature (D), Grüneisen parameter () andmode Grüneisen parameter (q) using slater, Dugdale and Mc Donald and free volume theories for alkali halide crystals. The calculated values compare wellwith available experimental data.