A variational approach to cluster approximations in the theory of electronic structure of disordered alloys
| Autor: | S.V. Beiden, N.E. Zein, German D. Samolyuk |
|---|---|
| Rok vydání: | 1991 |
| Předmět: |
Condensed matter physics
Chemistry Electronic structure Condensed Matter Physics Thermodynamic potential Condensed Matter::Materials Science symbols.namesake Variational method Tight binding Muffin-tin approximation Density of states symbols General Materials Science Ising model Statistical physics Hamiltonian (quantum mechanics) |
| Zdroj: | Journal of Physics: Condensed Matter. 3:9651-9665 |
| ISSN: | 1361-648X 0953-8984 |
| DOI: | 10.1088/0953-8984/3/48/007 |
| Popis: | Cluster generalization of the CPA method, based on the variational calculation of the alloy thermodynamic potential, is considered. Various possible choices of the variational parameters are discussed. One of them leads to an approximation that is analogous to the Bethe approximation for the Ising model. The technique developed is applied to the calculation of the density of states in the Ni1-cCuc alloy by the LMTO-ASA method. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|