Ab initio study of metastability of Eu3+ defect complexes in GaN
| dc.contributor.author | Ouma, C.N.M. | |
| dc.contributor.author | Meyer, Walter Ernst | |
| dc.contributor.email | cecil.ouma@up.ac.za | en_ZA |
| dc.date.accessioned | 2015-12-03T11:57:16Z | |
| dc.date.available | 2015-12-03T11:57:16Z | |
| dc.date.issued | 2014-04 | |
| dc.description.abstract | Density functional theory (DFT) within the generalized gradient approximation (GGA) has been used to study the structural and electronic properties of Eu3þ defect complexes in GaN under Ga-rich conditions. Two distinct configurations of the EuGaVN defect complex, the axial and basal configuration, have been investigated. We report two forms of metastable defects namely; the Negative U defect in the lower half of the GaN band-gap and a metastable defect with two distinct configurations each with levels at EC 0.46 eV and 0.56 eV in the upper half of the GaN band-gap. | en_ZA |
| dc.description.librarian | hb2015 | en_ZA |
| dc.description.uri | http://www.elsevier.com/locate/physb | en_ZA |
| dc.identifier.citation | Ouma, CNM & Meyer, WE 2014, 'Ab initio study of metastability of Eu3+ defect complexes in GaN', Physica B: Condensed Matter, vol. 439, pp. 141-143. | en_ZA |
| dc.identifier.issn | 0921-4526 (print) | |
| dc.identifier.issn | 1873-2135 (online) | |
| dc.identifier.other | 10.1016/j.physb.2013.11.004 | |
| dc.identifier.uri | http://hdl.handle.net/2263/51052 | |
| dc.language.iso | en | en_ZA |
| dc.publisher | Elsevier | en_ZA |
| dc.rights | © 2013 Elsevier B.V. All rights reserved. Notice : this is the author’s version of a work that was accepted for publication in Physica B: Consensed Matter. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Physica B: Consensed Matter, vol. 439, pp. 141-143, 2014. doi : 10.1016/j.physb.2013.11.004. | en_ZA |
| dc.subject | Metastability | en_ZA |
| dc.subject | Charge-statecontrolled | en_ZA |
| dc.subject | Defects | en_ZA |
| dc.subject | GaN | en_ZA |
| dc.subject | Density functional theory (DFT) | en_ZA |
| dc.subject | generalized gradient approximation (GGA) | en_ZA |
| dc.title | Ab initio study of metastability of Eu3+ defect complexes in GaN | en_ZA |
| dc.type | Postprint Article | en_ZA |