中国物理B ›› 2020, Vol. 29 ›› Issue (7): 76102-076102.doi: 10.1088/1674-1056/ab8a39

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

Tunable electronic structures of germanane/antimonene van der Waals heterostructures using an external electric field and normal strain

Xing-Yi Tan(谭兴毅), Li-Li Liu(刘利利), Da-Hua Ren(任达华)   

  1. 1 Department of Physics, Chongqing Three Gorges University, Wanzhou 404100, China;
    2 School of Information Engineering, Hubei Minzu University, Enshi 445000, China
  • 收稿日期:2020-03-03 修回日期:2020-04-13 出版日期:2020-07-05 发布日期:2020-07-05
  • 通讯作者: Xing-Yi Tan E-mail:tanxy@sanxiau.edu.cn
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No. 11864011).

Tunable electronic structures of germanane/antimonene van der Waals heterostructures using an external electric field and normal strain

Xing-Yi Tan(谭兴毅)1, Li-Li Liu(刘利利)1, Da-Hua Ren(任达华)2   

  1. 1 Department of Physics, Chongqing Three Gorges University, Wanzhou 404100, China;
    2 School of Information Engineering, Hubei Minzu University, Enshi 445000, China
  • Received:2020-03-03 Revised:2020-04-13 Online:2020-07-05 Published:2020-07-05
  • Contact: Xing-Yi Tan E-mail:tanxy@sanxiau.edu.cn
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No. 11864011).

摘要: Van der Waals (vdW) heterostructures have attracted significant attention because of their widespread applications in nanoscale devices. In the present work, we investigate the electronic structures of germanane/antimonene vdW heterostructure in response to normal strain and an external electric field by using the first-principles calculations based on density functional theory (DFT). The results demonstrate that the germanane/antimonene vdW heterostructure behaves as a metal in a [-1, -0.6] V/Å range, while it is a direct semiconductor in a [-0.5, 0.2] V/Å range, and it is an indirect semiconductor in a [0.3, 1.0] V/Å range. Interestingly, the band alignment of germanane/antimonene vdW heterostructure appears as type-Ⅱ feature both in a [-0.5, 0.1] range and in a [0.3, 1] V/Å range, while it shows the type-I character at 0.2 V/Å. In addition, we find that the germanane/antimonene vdW heterostructure is an indirect semiconductor both in an in-plane biaxial strain range of [-5%, -3%] and in an in-plane biaxial strain range of [3%, 5%], while it exhibits a direct semiconductor character in an in-plane biaxial strain range of [-2%, 2%]. Furthermore, the band alignment of the germanane/antimonene vdW heterostructure changes from type-Ⅱ to type-I at an in-plane biaxial strain of -3%. The adjustable electronic structure of this germanane/antimonene vdW heterostructure will pave the way for developing the nanoscale devices.

关键词: germanane/antimonene vdW heterostructure, electronic structures, external electric field, strain, first-principles calculations

Abstract: Van der Waals (vdW) heterostructures have attracted significant attention because of their widespread applications in nanoscale devices. In the present work, we investigate the electronic structures of germanane/antimonene vdW heterostructure in response to normal strain and an external electric field by using the first-principles calculations based on density functional theory (DFT). The results demonstrate that the germanane/antimonene vdW heterostructure behaves as a metal in a [-1, -0.6] V/Å range, while it is a direct semiconductor in a [-0.5, 0.2] V/Å range, and it is an indirect semiconductor in a [0.3, 1.0] V/Å range. Interestingly, the band alignment of germanane/antimonene vdW heterostructure appears as type-Ⅱ feature both in a [-0.5, 0.1] range and in a [0.3, 1] V/Å range, while it shows the type-I character at 0.2 V/Å. In addition, we find that the germanane/antimonene vdW heterostructure is an indirect semiconductor both in an in-plane biaxial strain range of [-5%, -3%] and in an in-plane biaxial strain range of [3%, 5%], while it exhibits a direct semiconductor character in an in-plane biaxial strain range of [-2%, 2%]. Furthermore, the band alignment of the germanane/antimonene vdW heterostructure changes from type-Ⅱ to type-I at an in-plane biaxial strain of -3%. The adjustable electronic structure of this germanane/antimonene vdW heterostructure will pave the way for developing the nanoscale devices.

Key words: germanane/antimonene vdW heterostructure, electronic structures, external electric field, strain, first-principles calculations

中图分类号:  (III-V and II-VI semiconductors)

  • 61.72.uj
71.15.Mb (Density functional theory, local density approximation, gradient and other corrections) 74.78.Fk (Multilayers, superlattices, heterostructures)