Abstract
A method of calculating the interatomic potential based on electron density functional formalism and multiple scattering theory is considered. The interatomic pair potential, vacancy formation energy, elastic shear moduli, and phonon spectrum were computed within the framework of this procedure. Satisfactory agreement of the calculated results with experiment was obtained.
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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 4, pp. 17–19, April, 1991.
Finally, the authors wish to express appreciation to V. V. Kal'chikhin for allowing for the use of a program to compute the phonon spectra.
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Egorushkin, V.E., Tarasenko, K.A. Interatomic potential and phonon spectrum of potassium in the framework of the multiple scattering method. Soviet Physics Journal 34, 293–295 (1991). https://doi.org/10.1007/BF00898088
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DOI: https://doi.org/10.1007/BF00898088