Formation and destabilization of Ga interstitials in GaAsN: Experiment and theory
(2012) In Physical Review B (Condensed Matter and Materials Physics) 86(19).- Abstract
- 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.
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/3256326
- author
- organization
- publishing date
- 2012
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Physical Review B (Condensed Matter and Materials Physics)
- volume
- 86
- issue
- 19
- article number
- 195205
- publisher
- American Physical Society
- external identifiers
-
- wos:000310867600002
- scopus:84869034405
- ISSN
- 1098-0121
- DOI
- 10.1103/PhysRevB.86.195205
- language
- English
- LU publication?
- yes
- id
- d1729048-3f30-4804-9d04-08a2ba25e054 (old id 3256326)
- date added to LUP
- 2016-04-01 14:30:40
- date last changed
- 2022-02-19 19:18:41
@article{d1729048-3f30-4804-9d04-08a2ba25e054, abstract = {{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.}}, author = {{Laukkanen, P. and Punkkinen, M. P. J. and Puustinen, J. and Levamaki, H. and Tuominen, M. and Schulte, Karina and Dahl, J. and Lang, J. and Zhang, H. L. and Kuzmin, M. and Palotas, K. and Johansson, B. and Vitos, L. and Guina, M. and Kokko, K.}}, issn = {{1098-0121}}, language = {{eng}}, number = {{19}}, publisher = {{American Physical Society}}, series = {{Physical Review B (Condensed Matter and Materials Physics)}}, title = {{Formation and destabilization of Ga interstitials in GaAsN: Experiment and theory}}, url = {{http://dx.doi.org/10.1103/PhysRevB.86.195205}}, doi = {{10.1103/PhysRevB.86.195205}}, volume = {{86}}, year = {{2012}}, }