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dc.contributor.authorZhang, Zhenkui
dc.contributor.authorSchwingenschlögl, Udo
dc.contributor.authorRoqan, Iman S.
dc.date.accessioned2015-03-17T06:00:58Z
dc.date.available2015-03-17T06:00:58Z
dc.date.issued2014-11-14
dc.identifier.citationVacancy complexes induce long-range ferromagnetism in GaN 2014, 116 (18):183905 Journal of Applied Physics
dc.identifier.issn0021-8979
dc.identifier.issn1089-7550
dc.identifier.doi10.1063/1.4901458
dc.identifier.urihttp://hdl.handle.net/10754/346741
dc.description.abstractBy means of density functional theory, we argue that ferromagnetism in GaN can be induced by vacancy complexes. Spin polarization originates from the charge compensation between neutral N and Ga vacancies. Defect formation energy calculations predict that a vacancy complex of two positively charged N vacancies and one doubly negative Ga vacancy is likely to form. This defect complex induces a net moment of 1 μB, which is localized around the negative Ga center and exhibits pronounced in-plane ferromagnetic coupling. In contrast to simple Ga vacancy induced ferromagnetism, the proposed picture is in line with the fact that N vacancies have a low formation energy. Formation energies indicate mutual stabilization of the intrinsic defects in GaN.
dc.publisherAIP Publishing
dc.relation.urlhttp://scitation.aip.org/content/aip/journal/jap/116/18/10.1063/1.4901458
dc.rightsArchived with thanks to Journal of Applied Physics
dc.titleVacancy complexes induce long-range ferromagnetism in GaN
dc.typeArticle
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.contributor.departmentSemiconductor and Material Spectroscopy (SMS) Laboratory
dc.identifier.journalJournal of Applied Physics
dc.eprint.versionPublisher's Version/PDF
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)
kaust.personZhang, Zhenkui
kaust.personSchwingenschlögl, Udo
kaust.personRoqan, Iman S.
refterms.dateFOA2018-06-14T04:43:43Z


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