Electronic structures of silicene fluoride and hydride

被引：164

作者：

Ding, Yi ^{[1
]}

Wang, Yanli ^{[2
]}

机构：

[1] Hangzhou Normal Univ, Dept Phys, Hangzhou 310036, Zhejiang, Peoples R China

[2] Zhejiang Sci Tech Univ, Ctr Optoelect Mat & Devices, Dept Phys, Hangzhou 310018, Zhejiang, Peoples R China

来源：

APPLIED PHYSICS LETTERS | 2012年 / 100卷 / 08期

关键词：

GRAPHENE;

D O I：

10.1063/1.3688035

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Silicene is the graphene-like silicon nanosheet, which has been synthesized very recently [B. Lalmi, H. Oughaddou, H. Enriquez, A. Kara, S. Vizzini, B. Ealet, and B. Aufray, Appl. Phys. Lett. 97, 223109 (2010)]. Using first-principles calculations, we systematically investigate the structures and properties of fluorinated and hydrogenated silicene, the silicon analogues of graphane. Different from the carbon-counterpart, the fluorination prefers the conformation with a zigzag-line buckling, while the hydrogenation keeps the chair conformation similar to graphane. A direct band gap is opened in the silicene fluoride, and the gap values can be continuously modulated by the strain. While for the hydride, a strain-induced indirect-to-direct band gap transition is found. (C) 2012 American Institute of Physics. [doi:10.1063/1.3688035]

引用

页数：4

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