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Shielding, the bulk chemical potential, and cohesion in alloysIt is shown that the bulk chemical potential in alloys is intimately related to the spatial dependence of the shielding cloud that results when the electronic charge rearranges itself as one atom type is replaced by another at a given site. Such a relationship fixes the relative energy scale between the alloy and its pure constituents, important in determining the stability of alloys. A correct treatment of shielding is thus essential to quantitative calculations of alloy stability. A model calculation of the bulk chemical potential and cohesion of alloys in the tight-binding approximation is presented as a numerical example. In the course of this investigation a general invariant of an integral over the shielding cloud is derived.
Document ID
19760050502
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Stern, E. A.
(Washington, University Seattle, Wash., United States)
Date Acquired
August 8, 2013
Publication Date
January 15, 1976
Publication Information
Publication: Physical Review B - Solid State
Subject Category
Solid-State Physics
Accession Number
76A33468
Funding Number(s)
CONTRACT_GRANT: NGL-48-002-004
Distribution Limits
Public
Copyright
Other

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