ab initio study of the structural and electronic propreties of the GaAsN alloys
Abstract
The GaAsN alloy has attracted considerable attention due to their important applications in optoelectronic devices and novel physical propreties. We have investigated structural and electronic propreties of this alloy by the theory of density functionnal theory in the local density approximation using pseudopotentiel and plane wave basis. We have firstly determined the geometry of the relaxed ground state for Ga_108As_107N_1, Ga_64As_63N1 and Ga_32As_31N_1. We found that the energy gap decreases quickly compared to GaAs, which is agreement in experimental result. We also found that the nitrogen atom favores [110] directionnel interaction.
- Publication:
-
APS March Meeting Abstracts
- Pub Date:
- March 2004
- Bibcode:
- 2004APS..MARU11004M