Journal
PHYSICAL REVIEW B
Volume 93, Issue 13, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.93.134115
Keywords
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Funding
- Austrian Federal Government (Bundesministerium fr Verkehr, Innovation und Technologie)
- Swedish Research Council (VR Project) [2015-05538]
- European Research Council grant
- VINNEX center Hero-m - Swedish Governmental Agency for Innovation Systems (VINNOVA)
- Swedish industry
- Royal Institute of Technology (KTH)
- Austrian Federal Government (Bundesministerium fr Wirtschaft, Familie und Jugend)
- Swedish Research Council [2015-05538] Funding Source: Swedish Research Council
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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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