Valence band splitting in bulk dilute bismides
Abstract
The electronic structure of bulk GaAs1−xBix systems for different atomic configurations and Bi concentrations is calculated using density functional theory. The results show a Bi-induced splitting between the light-hole and heavy-hole bands at the Γ-point. We find a good agreement between our calculated splittings and experimental data. The magnitude of the splitting strongly depends on the local arrangement of the Bi atoms but not on the uni-directional lattice constant of the supercell. The additional influence of external strain due to epitaxial growth on GaAs substrates is studied by fixing the in-plane lattice constants.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Oct 30, 2017
- Source ID
- 10.1063/1.5005156
Entities
People
- J. Hader
- Jerome V. Moloney
- Lars C. Bannow
- Stephan W. Koch
- Ştefan C. Bǎdescu
Organizations
- Air Force Office of Scientific Research
- Air Force Research Laboratory
- German Research Foundation
- University of Marburg