Interatomic interactions in solids: An effective-medium approach

M. Manninen
Phys. Rev. B 34, 8486 – Published 15 December 1986
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Abstract

The description of the total energy of a solid in terms of the effective-medium theory has been studied. With use of the density-functional theory, an exact symmetric formula is presented for describing the total energy in terms of the embedding energies of individual atoms. Different approximate formulas are derived and compared to the conventional pair-potential representation, to the model of Gordon and Kim, and to the semiempirical embedded-atom scheme of Daw and Baskes. The theory is applied to estimate the pair potential in the rare gases He, Ne, and Ar, and the cohesive properties of Al metal. A fair agreement with the experimental results is obtained.

  • Received 25 April 1986

DOI:https://doi.org/10.1103/PhysRevB.34.8486

©1986 American Physical Society

Authors & Affiliations

M. Manninen

  • Laboratory of Atomic and Solid State Physics, Cornell University, Ithaca, New York 14853-2501

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Issue

Vol. 34, Iss. 12 — 15 December 1986

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