Abstract
The electronic structure in nitrogen-poor alloys is investigated using a plane-wave pseudopotential method and large supercells. Our calculations give a detailed description of the complex perturbation of the lowest conduction band states induced by nitrogen substitution in GaAs. The two principal physical effects are (i) a resonant impurity state above the conduction band minimum (important at “impurity” concentrations, and (ii) the creation of and states due to the splitting of the degenerate and GaAs levels (important at alloy concentrations, or We show how the interaction of and provides a microscopic explanation for the origin of the experimentally observed anomalous alloy phenomena.
- Received 17 May 1999
DOI:https://doi.org/10.1103/PhysRevB.60.R11245
©1999 American Physical Society