Project detail

Ionic-covalent description of bonding in GaN with self-consistent charge equilibration

Duration: 01.03.2019 — 28.02.2020

Funding resources

Brno University of Technology - Vnitřní projekty VUT

- whole funder (2019-01-01 - 2020-12-31)

On the project

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.

Mark

CEITEC VUT-J-19-5965

Default language

Czech

People responsible

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

Units

Central European Institute of Technology BUT
- beneficiary (2019-01-01 - 2019-12-31)

Results

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.