SIMPLE THEORY FOR ALLOY DENSITY OF STATES INCLUDING LOCAL ATOMIC CONFIGURATIONS

Abstract
Using the numerical Monte-Carlo technique of Girvin and Jonson, have calculated the densities of states of model liquid binary alloys. The strength of the method is its ability to accurately account for local atomic configurations while avoiding explicit many-atom cluster calculations. Results will be presented for low connectivity model alloys for which effects of local configurations are particularly evident. Comparison with the work of Franz, Brouers, and Holzhey for the Cs-Au system will be given. Application of the technique to the calculation of the conductivity will be discussed. In particular, it will be shown that partially localized states exist within the bands that contribute to the density of states but only minimally to the conductivity. Another important feature of the method is its ability to describe Anderson localization. A new result of the theory is the occurrence of multiple mobility edges separating regions of Anderson localization inside the band.