Ab initio study of metastability of Eu3+  defect complexes in GaN

Ouma, C.N.M.; Meyer, Walter Ernst

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dc.contributor.author	Ouma, C.N.M.
dc.contributor.author	Meyer, Walter Ernst
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