Abstract
AbstractThe cohesive energies and equations of state describing the pressure‐volume relations are studied for nine systems of mixed alkali halide crystals for the entire range of composition. The Harrison analytical potential form for the overlap repulsive energy derived from quantum mechanical considerations is used to describe the nearest neighbour as well as next neighbour interactions. The long‐range electrostatic and the short‐range van der Waals interactions are also considered in the potential model. The thermoelastic properties such as the Grüneisen parameter and its volume derivative, isothermal and isentropic Anderson parameters are also calculated and reported. The results are discussed and compared with experimental data.
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