Analysis of the crystal binding and the gruneisen-anderson parameters in alkali halides

Abstract

We have calculated the crystal binding energies and the Gruneisen-Anderson parameters in sixteen NaCl- structure alkali halides using the Born model formulation including the short range repulsive interactions between nearest neighbours and the next nearest neighbours, and the van der Waals dipole-dipole and dipole-quadrupole interactions. The overlap repulsive potential parameters have been calculated from the low temperature crystal data on interionic separation and compressibility data. Values of the Gruneisen parameter are calculated taking into account the volume dependence of Poisson's ratio. The Anderson parameters describing the temperature derivatives of adibatic and isothermal bulk moduli have also been calculated with the help of interionic potential models. Calculations have been performed using the two potential forms for short range repulsive interactions showing an inverse power dependence and exponential dependence on interionic distance. The results obtained are compared with experimental data and also with other theoretical studies.