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

doi:10.1088/1674-1056/ab8a39

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: tanxy@sanxiau.edu.cn

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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