The origin of room temperature ferromagnetism mediated by Co–VZn complexes in the ZnO grain boundary

Handle URI:
http://hdl.handle.net/10754/621588
Title:
The origin of room temperature ferromagnetism mediated by Co–VZn complexes in the ZnO grain boundary
Authors:
Devi, Assa Aravindh Sasikala ( 0000-0001-9360-3457 ) ; Roqan, Iman S. ( 0000-0001-7442-4330 )
Abstract:
Ferromagnetism in polycrystalline ZnO doped with Co has been observed to be sustainable in recent experiments. We use first-principle calculations to show that Co impurities favorably substitute at the grain boundary (GB) rather than in the bulk. We reveal that room-temperature ferromagnetism (RTFM) at the Co-doped ZnO GB in the presence of Zn vacancies is due to ferromagnetic exchange coupling of a pair of closely associated Co atoms in the GB, with a ferromagnetic exchange coupling energy of ∼300 meV, which is in contrast to a previous study that suggested the O vacancy-Co complex induced ferromagnetism. Electronic structure analysis was used to predict the exchange coupling mechanism, showing that the hybridization of O p states with Co and Zn d states enhances the magnetic polarization originating from the GB. Our results indicate that RTFM originates from Co clusters at interfaces or in GBs. © 2016 The Royal Society of Chemistry.
KAUST Department:
Physical Sciences and Engineering (PSE) Division
Citation:
Sasikala Devi AA, Roqan IS (2016) The origin of room temperature ferromagnetism mediated by Co–VZn complexes in the ZnO grain boundary. RSC Adv 6: 50818–50824. Available: http://dx.doi.org/10.1039/c6ra11607h.
Publisher:
Royal Society of Chemistry (RSC)
Journal:
RSC Adv.
Issue Date:
20-May-2016
DOI:
10.1039/c6ra11607h
Type:
Article
ISSN:
2046-2069
Sponsors:
The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).
Additional Links:
http://pubs.rsc.org/en/content/articlehtml/2016/ra/c6ra11607h
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division

Full metadata record

DC FieldValue Language
dc.contributor.authorDevi, Assa Aravindh Sasikalaen
dc.contributor.authorRoqan, Iman S.en
dc.date.accessioned2016-11-03T08:32:45Z-
dc.date.available2016-11-03T08:32:45Z-
dc.date.issued2016-05-20en
dc.identifier.citationSasikala Devi AA, Roqan IS (2016) The origin of room temperature ferromagnetism mediated by Co–VZn complexes in the ZnO grain boundary. RSC Adv 6: 50818–50824. Available: http://dx.doi.org/10.1039/c6ra11607h.en
dc.identifier.issn2046-2069en
dc.identifier.doi10.1039/c6ra11607hen
dc.identifier.urihttp://hdl.handle.net/10754/621588-
dc.description.abstractFerromagnetism in polycrystalline ZnO doped with Co has been observed to be sustainable in recent experiments. We use first-principle calculations to show that Co impurities favorably substitute at the grain boundary (GB) rather than in the bulk. We reveal that room-temperature ferromagnetism (RTFM) at the Co-doped ZnO GB in the presence of Zn vacancies is due to ferromagnetic exchange coupling of a pair of closely associated Co atoms in the GB, with a ferromagnetic exchange coupling energy of ∼300 meV, which is in contrast to a previous study that suggested the O vacancy-Co complex induced ferromagnetism. Electronic structure analysis was used to predict the exchange coupling mechanism, showing that the hybridization of O p states with Co and Zn d states enhances the magnetic polarization originating from the GB. Our results indicate that RTFM originates from Co clusters at interfaces or in GBs. © 2016 The Royal Society of Chemistry.en
dc.description.sponsorshipThe research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).en
dc.publisherRoyal Society of Chemistry (RSC)en
dc.relation.urlhttp://pubs.rsc.org/en/content/articlehtml/2016/ra/c6ra11607hen
dc.titleThe origin of room temperature ferromagnetism mediated by Co–VZn complexes in the ZnO grain boundaryen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalRSC Adv.en
kaust.authorDevi, Assa Aravindh Sasikalaen
kaust.authorRoqan, Iman S.en
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