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
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.