Coherent-potential approximation in the tight-binding linear muffin-tin orbital method

Abstract
We describe a consistent approach for applying the coherent-potential approximation (CPA) to the various representations of the linear muffin-tin orbital method. Unlike the previous works of Kudrnovský et al. [Phys. Rev. B 35, 2487 (1987); 41, 7515 (1990)], our results for the ensemble-averaged Green functions in the tight-binding representation yield E- and r-dependent quantities that are consistent with the traditional applications of the single-site CPA. To illustrate the reliability and the usefulness of our approach we compare the nonspherically averaged charge densities, calculated in real space, of ordered NiPt in L10 structure and the substitutionally disordered Ni0.5 Pt0.5 on a face-centered-cubic lattice.