Influence of strain and electric field on the properties of silicane |
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Authors: | Cheng Gang Liu Peng-Fei Li Zi-Tao |
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Affiliation: | State Key Laboratory for Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of Sciences, Beijing 100083, China |
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Abstract: | 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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Keywords: | silicane strain electric field first-principles calculation |
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