Abstract
A procedure for pseudopotential calculations of the elastic constants of BCC alkali metals is developed using radial and tangential force constants obtained from the dependence of the pairwise interatomic potential on distance. The equations for calculating elastic constants are derived using the Delaunay algorithm based on elements of a dynamic matrix defined by radial and tangential force constants and a subsequent long-wavelength approximation whose results are compared with the elements of a dynamic matrix expressed within a similar approximation in the Born-Begbie model through elastic constants c 11, c 12, and c 44. The calculations for elastic constants of alkali metals performed using the proposed procedure agree satisfactorily with the experimental data.
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Original Russian Text © L. Enkhtor, V.M. Silonov, 2014, published in Izvestiya Rossiiskoi Akademii Nauk. Seriya Fizicheskaya, 2014, Vol. 78, No. 11, pp. 1432–1437.
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Enkhtor, L., Silonov, V.M. Procedure for pseudopotential calculations of alkali metal elastic constants. Bull. Russ. Acad. Sci. Phys. 78, 1163–1168 (2014). https://doi.org/10.3103/S1062873814110070
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DOI: https://doi.org/10.3103/S1062873814110070