Abstract

Harrison's overlap repulsive potential has been used for evaluating cohesive energies, bulk modulus and its pressure derivatives, Gruneisen parameter, and the volume derivatives of Gruneisen parameter for cuprous halides, silver halides and thallous halides. This potential has replaced the old and widely used Born-Mayer potential in ionic crystals. The Harrison repulsive potential has been represented by a quantum mechanical analytical potential form derived from the tight binding theory. The parameters involved in this potential form have been determined in terms of valence state energies of outermost d-electrons of Cu+, Ag+ and Tl+ ions. The results calculated in the present study have been found in good agreement with experimental data and better than those predicted from the Born potential model.

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