A Model Potential for Alkali Halide Crystals Including a Short Range Three‐Body Interaction

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Abstract
The model potential including a short range three‐body interaction which was used by Sarkar and Sengupta [1,2] to calculate various static properties of some alkali halide crystals has been extended to include overlap interaction between next nearest neighbours. This has been used to calculate the cohesive energy, harmonic elastic constants, phase transition pressure, and transitionvolume for transition from sodium chloride to the cesium chloride structure in the case of potassium and rubidium halides. The results have been compared with experimental values and with the theoretical calculations done on other models. It is found that the inclusion of overlap interaction between next nearest neighbours considerably improves the overall agreement between theoretical and experimental results.