Abstract
We present a generalization of the tight-binding coherent-potential approximation (TB-CPA) to substitutionally disordered alloys with both diagonal and off-diagonal disorder (ODD), taking into account all relevant {ital s}, {ital p}, and {ital d}, orbitals. This generalization is based on the work of Blackman, Esterling, and Berk (Phys. Rev. B 4, 2412 (1971)) which treated ODD within a single-band model of a disordered alloy. The method is illustrated with calculations of the density of states of disordered Cu{sub 0.75}Pd{sub 0.25} alloys. We find that inclusion of ODD improves the agreement with specific-heat data, but it does not resolve a discrepancy with the results of first-principles, muffin-tin CPA calculations regarding the Pd component of the density of states.
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