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dc.contributor.authorAlattas, Maha H.
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2016-05-30T13:24:06Z
dc.date.available2016-05-30T13:24:06Z
dc.date.issued2016-05-26
dc.identifier.citationQuasi-freestanding graphene on Ni(111) by Cs intercalation 2016, 6:26753 Scientific Reports
dc.identifier.issn2045-2322
dc.identifier.pmid27225324
dc.identifier.doi10.1038/srep26753
dc.identifier.urihttp://hdl.handle.net/10754/611196
dc.description.abstractA possible approach to achieve quasi-freestanding graphene on a substrate for technological purpose is the intercalation of alkali metal atoms. Cs intercalation between graphene and Ni(111) therefore is investigated using density functional theory, incorporating van der Waals corrections. It is known that direct contact between graphene and Ni(111) perturbs the Dirac states. We find that Cs intercalation restores the linear dispersion characteristic of Dirac fermions, which agrees with experiments, but the Dirac cone is shifted to lower energy, i.e., the graphene sheet is n-doped. Cs intercalation therefore decouples the graphene sheet from the substrate except for a charge transfer. On the other hand, the spin polarization of Ni(111) does not extend through the intercalated atoms to the graphene sheet, for which we find virtually spin-degeneracy.
dc.description.sponsorshipAssistance provided by M. Upadhyay-Kahaly and T. P. Kaloni is greatly appreciated. This publication was made possible by a National Priorities Research Program grant (NPRP 7-665-1-125) from the Qatar National Research Fund (a member of The Qatar Foundation) and by the King Abdullah University of Science and Technology (KAUST). The statements made herein are solely the responsibility of the authors.
dc.language.isoen
dc.publisherSpringer Nature
dc.relation.urlhttp://www.nature.com/articles/srep26753
dc.rightsThis work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
dc.titleQuasi-freestanding graphene on Ni(111) by Cs intercalation
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.journalScientific Reports
dc.eprint.versionPublisher's Version/PDF
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)
kaust.personAlattas, Maha Hassan Mohssen
kaust.personSchwingenschlögl, Udo
refterms.dateFOA2018-06-13T12:30:23Z
dc.date.published-online2016-05-26
dc.date.published-print2016-07


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