Silicene on Monolayer PtSe2: From Strong to Weak Binding via NH3 Intercalation

Handle URI:
http://hdl.handle.net/10754/626984
Title:
Silicene on Monolayer PtSe2: From Strong to Weak Binding via NH3 Intercalation
Authors:
Sattar, Shahid ( 0000-0003-4409-0100 ) ; Singh, Nirpendra ( 0000-0001-8043-0403 ) ; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
We 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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program
Citation:
Sattar 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.
Publisher:
American Chemical Society (ACS)
Journal:
ACS Applied Materials & Interfaces
Issue Date:
16-Jan-2018
DOI:
10.1021/acsami.7b17304
PubMed ID:
29336540
Type:
Article
ISSN:
1944-8244; 1944-8252
Sponsors:
The 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.
Additional Links:
http://pubs.acs.org/doi/10.1021/acsami.7b17304
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program

Full metadata record

DC FieldValue Language
dc.contributor.authorSattar, Shahiden
dc.contributor.authorSingh, Nirpendraen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2018-02-01T07:25:02Z-
dc.date.available2018-02-01T07:25:02Z-
dc.date.issued2018-01-16en
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.en
dc.identifier.issn1944-8244en
dc.identifier.issn1944-8252en
dc.identifier.pmid29336540-
dc.identifier.doi10.1021/acsami.7b17304en
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.en
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.en
dc.publisherAmerican Chemical Society (ACS)en
dc.relation.urlhttp://pubs.acs.org/doi/10.1021/acsami.7b17304en
dc.subjectbinding energyen
dc.subjectheterostructureen
dc.subjectintercalationen
dc.subjectNH3en
dc.subjectplatinum diselenideen
dc.subjectsiliceneen
dc.titleSilicene on Monolayer PtSe2: From Strong to Weak Binding via NH3 Intercalationen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentMaterials Science and Engineering Programen
dc.identifier.journalACS Applied Materials & Interfacesen
kaust.authorSattar, Shahiden
kaust.authorSingh, Nirpendraen
kaust.authorSchwingenschlögl, Udoen

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