Cu/Pd multilayers: An atomistic structural study

G. W. Fernando, J. Mei, R. E. Watson, M. Weinert, and J. W. Davenport
Phys. Rev. B 47, 13636 – Published 15 May 1993
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Abstract

The embedded-atom method (EAM) has been used to perform molecular-dynamics (MD) calculations of Cu/Pd multilayer films. In a recent publication, we presented our results on the elastic properties of these multilayers from our EAM-MD technique. In this paper we illustrate the simulation technique in detail. Comparisons are made with first-principles (local-density) calculations with respect to structural aspects of the multilayer. The local-density results follow trends similar to those seen in the EAM-MD approach. Various assumptions used in these calculations are critically examined.

  • Received 28 January 1993

DOI:https://doi.org/10.1103/PhysRevB.47.13636

©1993 American Physical Society

Authors & Affiliations

G. W. Fernando

  • Department of Physics, Brookhaven National Laboratory, Upton, New York 11973
  • Department of Physics, University of Connecticut, Storrs, Connecticut 06269

J. Mei

  • Department of Physics, State University of New York at Stony Brook, Stony Brook, New York 11794

R. E. Watson, M. Weinert, and J. W. Davenport

  • Department of Physics, Brookhaven National Laboratory, Upton, New York 11973

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Vol. 47, Iss. 20 — 15 May 1993

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