Influence of strain and electric field on the properties of silicane

doi:10.1088/1674-1056/22/4/046201

Abstract We investigate the influence of strain and electric field on the properties of silicane sheet. Some elastic parameters of silicane, such as an in-plane stiffness of 52.55 N/m and a Poisson's ratio of 0.24, are obtained by calculating the strain energy. Compared with silicene, silicane is softer because of its relatively weaker Si-Si bonds. The band structure of silicane is tunable by a uniform tensile strain, with the increase of which the band gap decreases monotonously. Moreover, silicane undergoes an indirect-direct gap transition under a small strain, and a semiconductor-metal transition under a large strain. The electric field can change the Si-H bond length of silicane significantly. When a strong field is applied, the H atom at the high potential side becomes desorbed, while the H atom at the low potential side keeps bonded. So an external electric field can help to produce single-side hydrogenated silicene from silicane. We believe this study will be helpful for the application of silicane in the future.

Keywords: silicane strain electric field first-principles calculation

Received: 07 June 2012
Revised: 23 October 2012
Accepted manuscript online:

PACS:	62.20.-x	(Mechanical properties of solids)
	73.22.-f	(Electronic structure of nanoscale materials and related systems)
	61.46.-w	(Structure of nanoscale materials)
	71.15.-m	(Methods of electronic structure calculations)

Fund: Project supported by the National Natural Science Foundation of China (Grant No. 60925016).

Corresponding Authors: Cheng Gang
E-mail: Chenggang@semi.ac.cn

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Cheng Gang (承刚), Liu Peng-Fei (刘鹏飞), Li Zi-Tao (李子涛) Influence of strain and electric field on the properties of silicane 2013 Chin. Phys. B 22 046201

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