4.5 Article

Influence of strain and electric field on the properties of silicane

期刊

CHINESE PHYSICS B
卷 22, 期 4, 页码 -

出版社

IOP Publishing Ltd
DOI: 10.1088/1674-1056/22/4/046201

关键词

silicane; strain; electric field; first-principles calculation

资金

  1. National Natural Science Foundation of China [60925016]

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We investigate the influence of strain and electric field on the properties of a 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.

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