Abstract
Densities of states and spectral functions are obtained for large (∼8000 atoms) three-dimensional alloy models with cell localized disorder and are compared with the single-site coherent-potential approximation (CPA). We find that the CPA agrees remarkably well with the exact numerical results. In particular, the overall structure of the electronic spectrum and the transition from one- to two-band behavior are well described. There is, however, some substructure which is not reproduced by the single-site approximation.
- Received 23 June 1975
DOI:https://doi.org/10.1103/PhysRevB.12.4090
©1975 American Physical Society