Abstract

Study of cohesion and thermodynamic properties of alkali halide crystals

Author(s): Rehana Tahira, S.N.Choudhary, M.M.Hasan

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.