Chin. Phys. B ›› 2013, Vol. 22 ›› Issue (4): 46201-046201.doi: 10.1088/1674-1056/22/4/046201

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇    下一篇

Influence of strain and electric field on the properties of silicane

承刚, 刘鹏飞, 李子涛   

  1. State Key Laboratory for Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of Sciences, Beijing 100083, China
  • 收稿日期:2012-06-07 修回日期:2012-10-23 出版日期:2013-03-01 发布日期:2013-03-01
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No. 60925016).

Influence of strain and electric field on the properties of silicane

Cheng Gang (承刚), Liu Peng-Fei (刘鹏飞), Li Zi-Tao (李子涛)   

  1. State Key Laboratory for Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of Sciences, Beijing 100083, China
  • Received:2012-06-07 Revised:2012-10-23 Online:2013-03-01 Published:2013-03-01
  • Contact: Cheng Gang E-mail:Chenggang@semi.ac.cn
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No. 60925016).

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摘要： 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.

关键词: silicane, strain, electric field, first-principles calculation

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.

Key words: silicane, strain, electric field, first-principles calculation

中图分类号:  (Mechanical properties of solids)

  • 62.20.-x
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)