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dc.contributor.authorPopovic, Zoran S.eng
dc.contributor.authorSatpathy, Sashi Sekhar, 1956-eng
dc.contributor.authorMitchel, W. S.eng
dc.date.issued2004eng
dc.description.abstractDensity-functional studies of the electron states in the dilute magnetic semiconductor GaN:Mn reveal major differences for the case of the Mn impurity at the substitutional site (MnGa) versus the interstitial site (MnI). The splitting of the twofold and the threefold degenerate Mn(d) states in the gap are reversed between the two cases, which is explained in terms of the symmetry-controlled hybridization with the neighboring atoms. In contrast to MnGa, which acts as a deep acceptor, MnI acts as a donor, suggesting the formation of Coulomb-stabilized complexes such as MnGaMnIMnGa, where the acceptor level of MnGa is passivated by the MnI donor. Formation of such passivated clusters might be the reason for the observed low carrier-doping efficiency of Mn in GaN. Even though the Mn states are located well inside the gap, the wave functions are spread far away from the impurity center. This is caused by the hybridization with the nitrogen atoms, which acquire small magnetic moments aligned with the Mn moment. Implications of the differences in the electronic structure for the optical properties are discussed.eng
dc.description.sponsorshipWe thank John Albrecht for stimulating this work and acknowledge support of this work by the U.S. Department of Energy through Grant No. DE-FG02-00ER45818. S.S. would also like to thank the National Research Council and the Air Force Office of Scientific Research for support of this work through a program in the Air Force Research Laboratory, Dayton, Ohio.eng
dc.identifier.citationPhys. Rev. B 70, 161308(R) (2004) [4 pages]eng
dc.identifier.issn1098-0121eng
dc.identifier.urihttp://hdl.handle.net/10355/7230eng
dc.languageEnglisheng
dc.publisherAmerican Physical Societyeng
dc.relation.ispartofcollectionUniversity of Missouri--Columbia. College of Arts and Sciences. Department of Physics and Astronomy. Physics and Astronomy publicationseng
dc.source.urihttp://link.aps.org/doi/10.1103/PhysRevB.70.161308eng
dc.subject.lcshElectronic structureeng
dc.subject.lcshDensity functionalseng
dc.subject.lcshGallium nitride -- Electric propertieseng
dc.subject.lcshMagnetic semiconductorseng
dc.titleElectronic structure of the substitutional versus interstitial manganese in GaNeng
dc.typeArticleeng


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