Self-consistent cluster coherent-potential approximation for the tight-binding linearized-muffin-tin-orbitals approach to random binary alloys
- 15 September 1993
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 48 (12) , 8567-8571
- https://doi.org/10.1103/physrevb.48.8567
Abstract
We have used the augmented-space formalism (ASF) to discuss the configuration averaging of random observables that one encounters in random systems, viz. the one-electron Green function or other related properties. The Hamiltonian of the constituents is obtained within the first-principles tight-binding linearized-muffin-tin-orbitals scheme. A self-consistent approach for the cluster coherent-potential function has been developed for substitutional binary alloys. Configuration averaging for the single-site coherent-potential approximation (CPA) and its cluster generalization (CCPA) is discussed using the ASF.Keywords
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