Electronic properties of Mn-decorated silicene on hexagonal boron nitride

Handle URI:
http://hdl.handle.net/10754/315799
Title:
Electronic properties of Mn-decorated silicene on hexagonal boron nitride
Authors:
Kaloni, Thaneshwor P.; Gangopadhyay, S.; Jones, Burton ( 0000-0002-9599-1593 ) ; Schwingenschlögl, Udo ( 0000-0003-4179-7231 ) ; Singh, Nirpendra ( 0000-0001-8043-0403 )
Abstract:
We 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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)
Citation:
Kaloni 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.
Publisher:
American Physical Society (APS)
Journal:
Physical Review B
Issue Date:
17-Dec-2013
DOI:
10.1103/PhysRevB.88.235418
ARXIV:
arXiv:1311.1155
Type:
Article
ISSN:
1098-0121; 1550-235X
Additional Links:
http://link.aps.org/doi/10.1103/PhysRevB.88.235418; http://arxiv.org/abs/1311.1155
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorKaloni, Thaneshwor P.en
dc.contributor.authorGangopadhyay, S.en
dc.contributor.authorJones, Burtonen
dc.contributor.authorSchwingenschlögl, Udoen
dc.contributor.authorSingh, Nirpendraen
dc.date.accessioned2014-04-13T14:31:23Z-
dc.date.available2014-04-13T14:31:23Z-
dc.date.issued2013-12-17en
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.en
dc.identifier.issn1098-0121en
dc.identifier.issn1550-235Xen
dc.identifier.doi10.1103/PhysRevB.88.235418en
dc.identifier.urihttp://hdl.handle.net/10754/315799en
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.en
dc.language.isoenen
dc.publisherAmerican Physical Society (APS)en
dc.relation.urlhttp://link.aps.org/doi/10.1103/PhysRevB.88.235418en
dc.relation.urlhttp://arxiv.org/abs/1311.1155en
dc.rightsArchived with thanks to Physical Review Ben
dc.titleElectronic properties of Mn-decorated silicene on hexagonal boron nitrideen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalPhysical Review Ben
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionIBM Almaden Research Center, San Jose, CA 95120-6099, United Statesen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
dc.identifier.arxividarXiv:1311.1155en
kaust.authorKaloni, Thaneshwor P.en
kaust.authorSingh, Nirpendraen
kaust.authorSchwingenschlögl, Udoen
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