Magnetic and electronic properties of Fe3O4/graphene heterostructures: First principles perspective
Type
ArticleKAUST Department
Physical Science and Engineering (PSE) DivisionDate
2013-02-27Online Publication Date
2013-02-27Print Publication Date
2013-02-28Permanent link to this record
http://hdl.handle.net/10754/552542
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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.Citation
Magnetic and electronic properties of Fe3O4/graphene heterostructures: First principles perspective 2013, 113 (8):083711 Journal of Applied PhysicsPublisher
AIP PublishingJournal
Journal of Applied Physicsae974a485f413a2113503eed53cd6c53
10.1063/1.4793590