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dc.contributor.authorMi, Wenbo
dc.contributor.authorYang, Hua
dc.contributor.authorCheng, Yingchun
dc.contributor.authorChen, Guifeng
dc.contributor.authorBai, Haili
dc.date.accessioned2015-05-10T14:17:50Z
dc.date.available2015-05-10T14:17:50Z
dc.date.issued2013-02-27
dc.identifier.citationMagnetic and electronic properties of Fe3O4/graphene heterostructures: First principles perspective 2013, 113 (8):083711 Journal of Applied Physics
dc.identifier.issn00218979
dc.identifier.doi10.1063/1.4793590
dc.identifier.urihttp://hdl.handle.net/10754/552542
dc.description.abstractMagnetic and electronic properties of Fe3O4(111)/graphene heterostructures are investigated by first principles calculations. Different structural models have been considered, which differ in the interface termination of Fe3O4(111) surface with respect to the same monolayer graphene. In three models, the magnetic moment of Fe(A) has a major change due to less O atoms surrounding Fe(A) atoms than Fe(B). Magnetic moment is enhanced by 8.5%, 18.5%, and 8.7% for models (a), (b), and (c), respectively. Furthermore, the spin polarization of models (a) and (c) is lowered due to the simultaneous occurrence of density of states of spin-up Fe(A) and spin-down Fe(B) at Fermi lever. The spin polarization of model (b) remains the same as that of bulk Fe3O4. Our results suggest that different interface terminations and Fe(A) play an important role in determining the magnetism strength and spin polarization.
dc.publisherAIP Publishing
dc.relation.urlhttp://scitation.aip.org/content/aip/journal/jap/113/8/10.1063/1.4793590
dc.rightsArchived with thanks to Journal of Applied Physics
dc.titleMagnetic and electronic properties of Fe3O4/graphene heterostructures: First principles perspective
dc.typeArticle
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalJournal of Applied Physics
dc.eprint.versionPublisher's Version/PDF
dc.contributor.institutionTianjin Key Laboratory of Low Dimensional Materials Physics and Preparation Technology, Institute of Advanced Materials Physics, Faculty of Science, Tianjin University, Tianjin 300072, China
dc.contributor.institutionSchool of Material Science and Engineering, Hebei University of Technology, Tianjin 300130, People's Republic of China
kaust.personCheng, Yingchun
refterms.dateFOA2018-06-14T07:35:54Z
dc.date.published-online2013-02-27
dc.date.published-print2013-02-28


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