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Potential energy parameters from crystalline state properties

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Acta Physica Academiae Scientiarum Hungaricae

Abstract

The parameters of the potential functions suggested byMorse, Rydberg andVarshni in the higher approximation with respect to the number of nearest-neighbours are determined using experimental values for the energy of sublimation, the compressibility, the lattice constant, the distance between nearest-neighbours in the crystal lattice at any given temperature.

The calculated force constants for some metals, in the pseudoharmonic approximation, compared with experimental data show a properly chosen shape of the functions in question and confirm the self-consistency of the present method.

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Malinowska-Adamska, C. Potential energy parameters from crystalline state properties. Acta Physica 45, 221–232 (1978). https://doi.org/10.1007/BF03157253

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  • DOI: https://doi.org/10.1007/BF03157253

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