Coherent-potential and average-matrix approximations for disordered muffin-tin alloys. I. Formalism
- 15 November 1979
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 20 (10) , 4025-4034
- https://doi.org/10.1103/physrevb.20.4025
Abstract
The average density of states and the component charge density associated with an atom in the alloy, , are discussed for the disordered alloy within the framework of the muffintin Hamiltonian. A new version of the average -matrix (ATA) is developed. The structure in the spectral density function, , in the coherent-potential approximation (or the new ATA) is seen to result from not only the Bloch-type states in the medium of coherent-potential effective atoms (or the average -atoms ) but also from non-Bloch-type impurity levels arising when a single or atom is embedded in an otherwise perfect effective medium. The proposed ATA equations would allow a simple yet reliable treatment of many aspects of the electronic spectrum of disordered transition and noble-metal alloys.
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