COULOMB ENERGIES IN DISORDERED ALLOYS AND IMPROVEMENTS ON THE COHERENT-POTENTIAL APPROXIMATION

Citation
Js. Faulkner et al., COULOMB ENERGIES IN DISORDERED ALLOYS AND IMPROVEMENTS ON THE COHERENT-POTENTIAL APPROXIMATION, Journal of phase equilibria, 18(6), 1997, pp. 499-508
Citations number
20
Journal title
ISSN journal
10549714
Volume
18
Issue
6
Year of publication
1997
Pages
499 - 508
Database
ISI
SICI code
1054-9714(1997)18:6<499:CEIDAA>2.0.ZU;2-#
Abstract
Order-N calculations of the electronic states of models of random subs titutional Cu-Zn alloys have been carried out. By analyzing the result s, new general features that are characteristic of the Coulomb energie s of alloys have been discovered. This article shows how they compare with other models of alloys that have been discussed in the literature . The most important consequence of these calculations is the new insi ght that they give into the nature of the Coulomb energy in the densit y functional theory.