Woodcock potential for alkali halide crystals

Abstract

The generalised pair interaction potential-energy function of Woodcock has been used to compute various crystal properties of twenty alkali metal halides. These properties include the Gruneisen parameter, the Anderson–Gruneisen parameter, the Moelwyn-Hughes parameter, the temperature derivative of compressibility, the coefficient of thermal expansion and the reststrahlen frequency. The agreement between the experimental and theoretical values is satisfactory, but not significantly better than values calculated from a modified Gaussian potential.