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dc.contributor.authorGan, Liyong
dc.contributor.authorZhang, Qingyun
dc.contributor.authorGuo, Chun-Sheng
dc.contributor.authorSchwingenschlögl, Udo
dc.contributor.authorZhao, Yong
dc.date.accessioned2015-10-12T09:40:50Z
dc.date.available2015-10-12T09:40:50Z
dc.date.issued2016-01-21
dc.identifier.citationThe Two-Dimensional MnO2/Graphene Interface: Half-metallicity and Quantum Anomalous Hall State 2015:151007134936006 The Journal of Physical Chemistry C
dc.identifier.issn1932-7447
dc.identifier.issn1932-7455
dc.identifier.doi10.1021/acs.jpcc.5b08272
dc.identifier.urihttp://hdl.handle.net/10754/579565
dc.description.abstractWe explore the electronic properties of the MnO2/graphene interface by first-principles calculations, showing that MnO2 becomes half-metallic. MnO2 in the MnO2/graphene/MnO2 system provides time-reversal and inversion symmetry breaking. Spin splitting by proximity occurs at the Dirac points and a topologically nontrivial band gap is opened, enabling a quantum anomalous Hall state. The half-metallicity, spin splitting, and size of the band gap depend on the interfacial interaction, which can be tuned by strain engineering.
dc.language.isoen
dc.publisherAmerican Chemical Society (ACS)
dc.relation.urlhttp://pubsdc3.acs.org/doi/10.1021/acs.jpcc.5b08272
dc.rightsThis document is the Accepted Manuscript version of a Published Work that appeared in final form in The Journal of Physical Chemistry C, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://pubsdc3.acs.org/doi/10.1021/acs.jpcc.5b08272.
dc.titleThe Two-Dimensional MnO2/Graphene Interface: Half-metallicity and Quantum Anomalous Hall State
dc.typeArticle
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalThe Journal of Physical Chemistry C
dc.eprint.versionPost-print
dc.contributor.institutionKey Laboratory of Advanced Technology of Materials (Ministry of Education), Superconductivity and New Energy R&D Center, Southwest Jiaotong University, Chengdu, Sichuan 610031, China
dc.contributor.institutionSchool of Materials Science and Engineering, University of New South Wales, Sydney, 2052 NSW, Australia
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)
kaust.personGan, Liyong
kaust.personZhang, Qingyun
kaust.personGuo, Chun-Sheng
kaust.personSchwingenschlögl, Udo
refterms.dateFOA2016-10-07T00:00:00Z
dc.date.published-online2016-01-21
dc.date.published-print2016-02-04


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