A. Datta et Pk. Thakur, THE COHERENT-POTENTIAL APPROXIMATION IN THE TIGHT-BINDING LINEARIZED-MUFFIN-TIN-ORBITAL FORMALISM FOR A SINGLE-BAND MODEL OF A SOLID, Journal of physics. Condensed matter, 6(25), 1994, pp. 4707-4720
We have developed a model of a random alloy based on a simplified sing
le-(s-type-)band model of a solid introduced by Andersen to demonstrat
e the screening of orbitals in the LMTO formalism. To this model we ha
ve applied the coherent-potential approximation in the LMTOS put forwa
rd by Kudrnovsky et al. The electronic densities of states calculated
showed interesting features similar to those found in realistic calcul
ations, for all types of disorder considered, namely purely diagonal,
both diagonal and off-diagonal, and purely off-diagonal.