Thermal vacancies in random alloys in the single-site mean-field approximation

A. V. Ruban
Phys. Rev. B 93, 134115 – Published 25 April 2016

Abstract

A formalism for the vacancy formation energies in random alloys within the single-site mean-filed approximation, where vacancy-vacancy interaction is neglected, is outlined. It is shown that the alloy configurational entropy can substantially reduce the concentration of vacancies at high temperatures. The energetics of vacancies in random Cu0.5Ni0.5 alloy is considered as a numerical example illustrating the developed formalism. It is shown that the effective formation energy increases with temperature, however, in this particular system it is still below the mean value of the vacancy formation energy, which would correspond to the vacancy formation energy in a homogeneous model of a random alloy, such as given by the coherent potential approximation.

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  • Received 24 December 2015
  • Revised 16 February 2016

DOI:https://doi.org/10.1103/PhysRevB.93.134115

©2016 American Physical Society

Physics Subject Headings (PhySH)

  1. Research Areas
  1. Physical Systems
Condensed Matter, Materials & Applied Physics

Authors & Affiliations

A. V. Ruban

  • Department of Materials Science and Engineering, KTH Royal Institute of Technology, SE-100 44 Stockholm, Sweden and Materials Center Leoben Forschung GmbH, A-8700 Leoben, Austria

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Issue

Vol. 93, Iss. 13 — 1 April 2016

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