Abstract
The electronic structure of six Cu-based ternary chalcopyrite semiconductors is calculated self-consistently for the first time within the density-functional formalism. The chemical trends in the band structures, electronic charge densities, density of states, and chemical bonding are analyzed.
- Received 31 May 1983
DOI:https://doi.org/10.1103/PhysRevB.28.5822
©1983 American Physical Society
