Solid argon as a possible substrate for quasi-freestanding silicene

被引：12
作者：
Sattar, S. [1 ]
Hoffmann, R. [2 ]
Schwingenschloegl, U. [1 ]
机构：
[1] KAUST, PSE Div, Thuwal 239556900, Saudi Arabia
[2] Cornell Univ, Dept Chem & Chem Biol, Baker Lab, Ithaca, NY 14853 USA
来源：
NEW JOURNAL OF PHYSICS | 2014年 / 16卷
基金：
美国国家科学基金会;
关键词：
silicene; DFT calculation; substrate;
D O I：
10.1088/1367-2630/16/6/065001
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
We study the structural and electronic properties of silicene on solid Ar(1 1 1) 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 -32 meV per Si atom also indicates the possibility to separate silicene from the solid Ar(1 1 1) substrate. In addition, a band gap of 11 meV and a significant splitting of the energy levels due to spin-orbit coupling are observed.
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页数：7
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