Abstract
AbstractThe cohesive energy, molecular force constant, reststrahlen frequency, third‐order elastic (TOE) constants, van der Waal's coefficients, bulk modulus, and its pressure dependence are evaluated for potassium halides using a generalised‐shell model (GSM) in which the zero‐point energy is estimated from a relation used by Narayan and Ramaseshan, and van der Waal's (vdW) coefficients are evaluated by the Slater‐Kirkwood‐variational (SKV) method. The Hafemeister‐Flygare (HF) type short‐range overlap repulsive potential, effective up to second neighbours, is used. The results obtained are in excellent agreement with the experimental data.
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