Magnetic and electronic properties of Fe3O4/graphene heterostructures: First principles perspective

Handle URI:
http://hdl.handle.net/10754/552542
Title:
Magnetic and electronic properties of Fe3O4/graphene heterostructures: First principles perspective
Authors:
Mi, Wenbo; Yang, Hua; Cheng, Yingchun; Chen, Guifeng; Bai, Haili
Abstract:
Magnetic 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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division
Citation:
Magnetic and electronic properties of Fe3O4/graphene heterostructures: First principles perspective 2013, 113 (8):083711 Journal of Applied Physics
Publisher:
AIP Publishing
Journal:
Journal of Applied Physics
Issue Date:
27-Feb-2013
DOI:
10.1063/1.4793590
Type:
Article
ISSN:
00218979
Additional Links:
http://scitation.aip.org/content/aip/journal/jap/113/8/10.1063/1.4793590
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division

Full metadata record

DC FieldValue Language
dc.contributor.authorMi, Wenboen
dc.contributor.authorYang, Huaen
dc.contributor.authorCheng, Yingchunen
dc.contributor.authorChen, Guifengen
dc.contributor.authorBai, Hailien
dc.date.accessioned2015-05-10T14:17:50Zen
dc.date.available2015-05-10T14:17:50Zen
dc.date.issued2013-02-27en
dc.identifier.citationMagnetic and electronic properties of Fe3O4/graphene heterostructures: First principles perspective 2013, 113 (8):083711 Journal of Applied Physicsen
dc.identifier.issn00218979en
dc.identifier.doi10.1063/1.4793590en
dc.identifier.urihttp://hdl.handle.net/10754/552542en
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.en
dc.publisherAIP Publishingen
dc.relation.urlhttp://scitation.aip.org/content/aip/journal/jap/113/8/10.1063/1.4793590en
dc.rightsArchived with thanks to Journal of Applied Physicsen
dc.titleMagnetic and electronic properties of Fe3O4/graphene heterostructures: First principles perspectiveen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalJournal of Applied Physicsen
dc.eprint.versionPublisher's Version/PDFen
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, Chinaen
dc.contributor.institutionSchool of Material Science and Engineering, Hebei University of Technology, Tianjin 300130, People's Republic of Chinaen
kaust.authorCheng, Yingchunen
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