Self-consistent Green’s-function method for surfaces of random alloys

J. Kudrnovský, I. Turek, V. Drchal, P. Weinberger, S. K. Bose, and A. Pasturel
Phys. Rev. B 47, 16525 – Published 15 June 1993
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Abstract

An efficient self-consistent Green’s-function technique using a generalization of the coherent-potential approximation method is presented in order to describe the electronic structure of inhomogeneous semi-infinite alloys with varying concentration profiles at the surface within the local-density approximation. The formalism is applied to the study of the electronic properties of the (001) surface of Cu1xNix fcc random alloys.

  • Received 23 December 1992

DOI:https://doi.org/10.1103/PhysRevB.47.16525

©1993 American Physical Society

Authors & Affiliations

J. Kudrnovský

  • Institute of Physics, Czech Academy of Sciences, CS-180 40 Praha 8, Czecho Republic
  • Institute for Technical Electrochemistry, Technical University, A-1060 Vienna, Austria

I. Turek

  • Institute of Physical Metallurgy, Czech Academy of Sciences, CS-616 62 Brno, Czecho Republic

V. Drchal

  • Institute of Physics, Czech Academy of Sciences, CS-180 40 Praha 8, Czecho Republic

P. Weinberger

  • Institute for Technical Electrochemistry, Technical University, A-1060 Vienna, Austria

S. K. Bose

  • Department of Physics, Brock University, Saint Catharines, Ontario, Canada L2S 3A1

A. Pasturel

  • Laboratoire de Thermodynamique et Physico-Chimie, Métallurgiques, Ecole Nationalé Supérieure, Domaine Universitaire, 38402 Saint Martin d’Hères, France

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Vol. 47, Iss. 24 — 15 June 1993

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