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Chin. Phys. B, 2020, Vol. 29(7): 076102    DOI: 10.1088/1674-1056/ab8a39

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 Department of Physics, Chongqing Three Gorges University, Wanzhou 404100, China;
2 School of Information Engineering, Hubei Minzu University, Enshi 445000, China
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.
Keywords:  germanane/antimonene vdW heterostructure      electronic structures      external electric field      strain      first-principles calculations  
Received:  03 March 2020      Revised:  13 April 2020      Published:  05 July 2020
PACS:  61.72.uj (III-V and II-VI semiconductors)  
  71.15.Mb (Density functional theory, local density approximation, gradient and other corrections)  
  74.78.Fk (Multilayers, superlattices, heterostructures)  
Fund: Project supported by the National Natural Science Foundation of China (Grant No. 11864011).
Corresponding Authors:  Xing-Yi Tan     E-mail:

Cite this article: 

Xing-Yi Tan(谭兴毅), Li-Li Liu(刘利利), Da-Hua Ren(任达华) Tunable electronic structures of germanane/antimonene van der Waals heterostructures using an external electric field and normal strain 2020 Chin. Phys. B 29 076102

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