The III-V semiconductors have been studied atomistically using purely covalent empirical potentials, despite the fact that their bonds have a partially ionic character. This unphysical approximation represents an obstacle to understanding charge redistribution around threading dislocations, and thus to unraveling their effect on luminescence and electron mobility. Our objective in this project is to develop a physically justified interatomic potential for GaN that involves both the covalent and the ionic part.

CEITEC VUT-J-19-5965

Czech

Antoš Zdeněk, Ing. - principal person responsible
Gröger Roman, doc. Ing., Ph.D. et Ph.D. - fellow researcher

Central European Institute of Technology BUT
- responsible department (15.1.2020 - not assigned)
Central European Institute of Technology BUT
- beneficiary (1.1.2019 - 31.12.2019)

ANTOŠ, Z.; VACEK, P.; GRÖGER, R. Intersections of two stacking faults in zincblende GaN. COMPUTATIONAL MATERIALS SCIENCE, 2020, vol. 180, no. 1, p. 109620-1 (109620-7 p.)ISSN: 0927-0256.
Detail

Responsibility: Antoš Zdeněk, Ing.