Solid argon as a possible substrate for quasi-freestanding silicene

We study the structural and electronic properties of silicene on solid Ar(111) substrate using ab initio calculations. We demonstrate that due to weak interaction, quasi-freestanding silicene is realized in this system. The small binding energy of only meV per Si atom also indicates the possibility...

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Bibliographic Details
Published in:New journal of physics 2014-06, Vol.16 (6), p.65001-7
Main Authors: Sattar, S, Hoffmann, R, Schwingenschlögl, U
Format: Article
Language:English
Subjects:
Argon
Binding energy
DFT calculation
Electronic properties
Energy levels
Mathematical analysis
Physics
Silicene
Silicon
Silicon substrates
Spin-orbit interactions
Splitting
substrate
Substrates
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Summary:We study the structural and electronic properties of silicene on solid Ar(111) substrate using ab initio calculations. We demonstrate that due to weak interaction, quasi-freestanding silicene is realized in this system. The small binding energy of only meV per Si atom also indicates the possibility to separate silicene from the solid Ar(111) substrate. In addition, a band gap of 11 meV and a significant splitting of the energy levels due to spin-orbit coupling are observed.
ISSN:1367-2630
1367-2630
DOI:10.1088/1367-2630/16/6/065001