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Method of computing the Ewald constants of closely packed metal structures

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Abstract

The dependence of the electrostatic energy of closely packed structures of metals on the kind of crystalline lattice is investigated in this paper. The fact of a reciprocal dependence of the Ewald constants is noted in different closely packed structures. On this basis, computational formulas are proposed for the Ewald constants, different from those currently used. It is clarified that the error in a linear approximation does not exceed 9·10−8 and 2·10−8 for a quadratic approximation. This permits their application for specific computations. Structures obtained from closely packed ones by axial compression or tension also possess the same property.

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Authors
  1. V. A. Savel'ev
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Additional information

Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 3, pp. 78–81, March, 1987.

The author is grateful to Z. A. Matysina for aid in preparing the paper.

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Savel'ev, V.A. Method of computing the Ewald constants of closely packed metal structures. Soviet Physics Journal 30, 249–251 (1987). https://doi.org/10.1007/BF00897866

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  • DOI: https://doi.org/10.1007/BF00897866

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