Interatomic potential and phonon spectrum of potassium in the framework of the multiple scattering method
Tóm tắt
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.
Tài liệu tham khảo
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