Silicene on Monolayer PtSe2: From Strong to Weak Binding via NH3 Intercalation
KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Online Publication Date2018-01-16
Print Publication Date2018-01-31
Permanent link to this recordhttp://hdl.handle.net/10754/626984
MetadataShow full item record
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.
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.
SponsorsThe 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.
PublisherAmerican Chemical Society (ACS)
- Electronic Properties of Graphene-PtSe(2) Contacts.
- Authors: Sattar S, Schwingenschlögl U
- Issue date: 2017 May 10
- Epitaxial Synthesis of Monolayer PtSe(2) Single Crystal on MoSe(2) with Strong Interlayer Coupling.
- Authors: Zhou J, Kong X, Sekhar MC, Lin J, Le Goualher F, Xu R, Wang X, Chen Y, Zhou Y, Zhu C, Lu W, Liu F, Tang B, Guo Z, Zhu C, Cheng Z, Yu T, Suenaga K, Sun D, Ji W, Liu Z
- Issue date: 2019 Oct 22
- Silicene as a highly sensitive molecule sensor for NH3, NO and NO2.
- Authors: Hu W, Xia N, Wu X, Li Z, Yang J
- Issue date: 2014 Apr 21
- Silicene and germanene on InSe substrates: structures and tunable electronic properties.
- Authors: Fan Y, Liu X, Wang J, Ai H, Zhao M
- Issue date: 2018 Apr 25
- Spin-Orbit Coupling Induced Gap in Graphene on Pt(111) with Intercalated Pb Monolayer.
- Authors: Klimovskikh II, Otrokov MM, Voroshnin VY, Sostina D, Petaccia L, Di Santo G, Thakur S, Chulkov EV, Shikin AM
- Issue date: 2017 Jan 24