Coherent-potential approximation in the tight-binding linear muffin-tin orbital method
- 15 July 1993
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 48 (3) , 1989-1992
- https://doi.org/10.1103/physrevb.48.1989
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 L structure and the substitutionally disordered on a face-centered-cubic lattice.
Keywords
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