Abstract
A procedure to solve the coherent-potential-approximation (CPA) equation for energy- and -dependent self-energies is developed. This version makes it possible to apply the CPA method to cases when the density-of-states curves of the constituent systems differ rather strongly. As a first application the density-of-states curves of the valence band of the mixed system consisting of and linear chains were calculated for hydrogen concentrations between 3 and 50 mole%. The results show a significant effect of the hydrogen impurities on the density of states of .
- Received 3 February 1978
DOI:https://doi.org/10.1103/PhysRevB.18.6460
©1978 American Physical Society