Dissemin is shutting down on January 1st, 2025

Published in

Materials Research Society, Materials Research Society Symposium Proceedings, (1342), 2011

DOI: 10.1557/opl.2011.1050

Links

Tools

Export citation

Search in Google Scholar

Theoretical investigation of Er-O co-doping in hexagonal GaN

Journal article published in 2011 by Simone Sanna ORCID, Uwe Gerstmann ORCID, Wolf Gero Schmidt
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

Full text: Unavailable

Red circle
Preprint: archiving forbidden
Green circle
Postprint: archiving allowed
Green circle
Published version: archiving allowed
Data provided by SHERPA/RoMEO

Abstract

ABSTRACTThe co-doping of hexagonal GaN with Er and O is investigated by means of density functional calculations. Predominantly Er-O defect-pairs characterized by a binding energy around 0.5 eV are formed. Different geometric configurations with various orientations (i.e. axial and basal pairs with C3v or C1h symmetry) are expected with similar formation energies. Independent of the particular configuration, the presence of oxygen does not deeply affect the atomic structure and the electronic charge distribution around the Er centers. The relatively high binding energy suggests that Er-O pairs should survive thermal treatment. An investigation of the binding energy per bond indicates that on the other hand Er-Ox complexes (x=2,3,4) are not likely to be formed (differently from Er-O co-doped Si). Rather, as long as the oxygen fluence does not overtake the Er fluence, different oxygen ions will be bound to different Er-centers.