Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys

S. M. Foiles, M. I. Baskes, and M. S. Daw
Phys. Rev. B 33, 7983 – Published 15 June 1986; Erratum Phys. Rev. B 37, 10378 (1988)
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Abstract

A consistent set of embedding functions and pair interactions for use with the embedded-atom method [M.S. Daw and M. I. Baskes, Phys. Rev. B 29, 6443 (1984)] have been determined empirically to describe the fcc metals Cu, Ag, Au, Ni, Pd, and Pt as well as alloys containing these metals. The functions are determined empirically by fitting to the sublimation energy, equilibrium lattice constant, elastic constants, and vacancy-formation energies of the pure metals and the heats of solution of the binary alloys. The validity of the functions is tested by computing a wide range of properties: the formation volume and migration energy of vacancies, the formation energy, formation volume, and migration energy of divacancies and self-interstitials, the surface energy and geometries of the low-index surfaces of the pure metals, and the segregation energy of substitutional impurities to (100) surfaces.

  • Received 13 January 1986

DOI:https://doi.org/10.1103/PhysRevB.33.7983

©1986 American Physical Society

Erratum

Erratum: Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys

S. M. Foiles, M. I. Baskes, and M. S. Daw
Phys. Rev. B 37, 10378 (1988)

Authors & Affiliations

S. M. Foiles, M. I. Baskes, and M. S. Daw

  • Sandia National Laboratories, Livermore, California 94550

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Issue

Vol. 33, Iss. 12 — 15 June 1986

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