Formation and destabilization of Ga interstitials in GaAsN: Experiment and theory
Author
Summary, in English
Using first-principles total energy calculations we have found complex defects induced by N incorporation in GaAsN. The formation energy of the Ga interstitial atom is very significantly decreased due to local effects within the defect complex. The stability of the Ga interstitials is further increased at surfaces. The present results suggest that the energetically favorable Ga interstitial atoms are much more abundant in GaAsN than the previously considered N defects, which have relatively large formation energies. Our synchrotron radiation core-level photoemission measurements support the computational results. The formation of harmful Ga interstitials should be reduced by incorporating large group IV B atoms in GaAsN.
Department/s
Publishing year
2012
Language
English
Publication/Series
Physical Review B (Condensed Matter and Materials Physics)
Volume
86
Issue
19
Document type
Journal article
Publisher
American Physical Society
Topic
- Physical Sciences
- Natural Sciences
Status
Published
ISBN/ISSN/Other
- ISSN: 1098-0121