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dc.contributor.authorRaebiger, Hannes-
dc.contributor.authorBae, Soungmin-
dc.contributor.authorEcheverría-Arrondo, C.-
dc.contributor.authorAyuela, Andrés-
dc.date.accessioned2019-03-12T13:46:58Z-
dc.date.available2019-03-12T13:46:58Z-
dc.date.issued2018-
dc.identifierdoi: 10.1103/PhysRevMaterials.2.024402-
dc.identifiere-issn: 2475-9953-
dc.identifier.citationPhysical Review Materials 2(2): 024402 (2018)-
dc.identifier.urihttp://hdl.handle.net/10261/177784-
dc.description.abstractMn and Fe-doped GaN are widely studied prototype systems for hole-mediated magnetic semiconductors. The nature of the hole states around the Mn and Fe impurities, however, remains under debate. Our self-interaction corrected density-functional calculations show that the charge neutral Mn0 and positively charged Fe+ impurities have symmetry-broken d5+h ground states, in which the hole is trapped by one of the surrounding N atoms in a small polaron state. We further show that both systems also have a variety of other d5+h configurations, including symmetric, delocalized states, which may be stabilized by axial strain. This finding opens a pathway to promote long-range hole-mediated magnetic interactions by strain engineering and clarifies why highly strained thin-films samples often exhibit anomalous magnetic properties.-
dc.description.sponsorshipThis work was funded by JSPS Grant-in-Aid for Scientific Research (C) No. 17K05494. H.R. is grateful to the São Paulo Research Foundation FAPESP and S.B. thanks the Rotary Yoneyama Memorial Foundation for support. A.A. acknowledges support of the Project FIS2016-76617-P of the Spanish Ministry of Economy and Competitiveness MINECO.-
dc.publisherAmerican Physical Society-
dc.relationinfo:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/FIS2016-76617-P-
dc.relation.isversionofPublisher's version-
dc.rightsopenAccess-
dc.titleControl of hole localization in magnetic semiconductors by axial strain-
dc.typeartículo-
dc.identifier.doi10.1103/PhysRevMaterials.2.024402-
dc.relation.publisherversionhttps://doi.org/10.1103/PhysRevMaterials.2.024402-
dc.date.updated2019-03-12T13:46:58Z-
dc.description.versionPeer Reviewed-
dc.language.rfc3066eng-
dc.rights.licensehttps://creativecommons.org/licenses/by/4.0/-
dc.contributor.funderJapan Society for the Promotion of Science-
dc.contributor.funderFundação de Amparo à Pesquisa do Estado de São Paulo-
dc.contributor.funderRotary Foundation-
dc.contributor.funderMinisterio de Economía y Competitividad (España)-
dc.relation.csic-
dc.identifier.funderhttp://dx.doi.org/10.13039/501100003329es_ES
dc.identifier.funderhttp://dx.doi.org/10.13039/100004460es_ES
dc.identifier.funderhttp://dx.doi.org/10.13039/501100001691es_ES
dc.identifier.funderhttp://dx.doi.org/10.13039/501100001807es_ES
dc.type.coarhttp://purl.org/coar/resource_type/c_6501es_ES
item.openairetypeartículo-
item.cerifentitytypePublications-
item.grantfulltextopen-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.fulltextWith Fulltext-
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