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dc.contributor.authorSattar, Shahid
dc.contributor.authorSingh, Nirpendra
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2018-02-01T07:25:02Z
dc.date.available2018-02-01T07:25:02Z
dc.date.issued2018-01-16
dc.identifier.citationSattar S, Singh N, Schwingenschlögl U (2018) Silicene on Monolayer PtSe2: From Strong to Weak Binding via NH3 Intercalation. ACS Applied Materials & Interfaces 10: 4266–4270. Available: http://dx.doi.org/10.1021/acsami.7b17304.
dc.identifier.issn1944-8244
dc.identifier.issn1944-8252
dc.identifier.pmid29336540
dc.identifier.doi10.1021/acsami.7b17304
dc.identifier.urihttp://hdl.handle.net/10754/626984
dc.description.abstractWe study the properties of silicene on monolayer PtSe2 by first-principles calculations and demonstrate a much stronger interlayer interaction than previously reported for silicene on other semiconducting substrates. This fact opens the possibility of a direct growth. A band gap of 165 meV results from inversion symmetry breaking and large spin-splittings in the valence and conduction bands from proximity to monolayer PtSe2 and its strong spin–orbit coupling. It is also shown that the interlayer interaction can be effectively reduced by intercalating NH3 molecules between silicene and monolayer PtSe2 without inducing charge transfer or defect states near the Fermi energy. A small NH3 diffusion barrier makes intercalation a viable experimental approach to control the interlayer interaction.
dc.description.sponsorshipThe research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). Fruitful discussions with Vasudeo Babar and Hakkim Vovusha are gratefully acknowledged.
dc.publisherAmerican Chemical Society (ACS)
dc.relation.urlhttp://pubs.acs.org/doi/10.1021/acsami.7b17304
dc.subjectbinding energy
dc.subjectheterostructure
dc.subjectintercalation
dc.subjectNH3
dc.subjectplatinum diselenide
dc.subjectsilicene
dc.titleSilicene on Monolayer PtSe2: From Strong to Weak Binding via NH3 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.journalACS Applied Materials & Interfaces
kaust.personSattar, Shahid
kaust.personSingh, Nirpendra
kaust.personSchwingenschlögl, Udo
dc.date.published-online2018-01-16
dc.date.published-print2018-01-31


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