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dc.contributor.authorKaloni, Thaneshwor P.
dc.contributor.authorGangopadhyay, S.
dc.contributor.authorJones, Burton
dc.contributor.authorSchwingenschlögl, Udo
dc.contributor.authorSingh, Nirpendra
dc.date.accessioned2014-04-13T14:31:23Z
dc.date.available2014-04-13T14:31:23Z
dc.date.issued2013-12-17
dc.identifier.citationKaloni T, Gangopadhyay S, Singh N, Jones B, Schwingenschlögl U (2013) Electronic properties of Mn-decorated silicene on hexagonal boron nitride. Phys Rev B 88. doi:10.1103/PhysRevB.88.235418.
dc.identifier.issn1098-0121
dc.identifier.issn1550-235X
dc.identifier.doi10.1103/PhysRevB.88.235418
dc.identifier.urihttp://hdl.handle.net/10754/315799
dc.description.abstractWe study silicene on hexagonal boron nitride, using first-principles calculations. Since hexagonal boron nitride is semiconducting, the interaction with silicene is weaker than for metallic substrates. It therefore is possible to open a 50 meV band gap in the silicene. We further address the effect of Mn decoration by determining the onsite Hubbard interaction parameter, which turns out to differ significantly for decoration at the top and hollow sites. The induced magnetism in the system is analyzed in detail.
dc.language.isoen
dc.publisherAmerican Physical Society (APS)
dc.relation.urlhttp://link.aps.org/doi/10.1103/PhysRevB.88.235418
dc.relation.urlhttp://arxiv.org/abs/1311.1155
dc.rightsArchived with thanks to Physical Review B
dc.titleElectronic properties of Mn-decorated silicene on hexagonal boron nitride
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.journalPhysical Review B
dc.eprint.versionPublisher's Version/PDF
dc.contributor.institutionIBM Almaden Research Center, San Jose, CA 95120-6099, United States
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)
dc.identifier.arxividarXiv:1311.1155
kaust.personKaloni, Thaneshwor P.
kaust.personSingh, Nirpendra
kaust.personSchwingenschlögl, Udo
refterms.dateFOA2018-06-14T04:16:00Z
dc.date.posted2013-11-05


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