https://doi.org/10.1140/epjp/s13360-023-04556-3
Regular Article
Tunable electronic structures in C3N/WSe2 van der Waals heterostructure by biaxial strain and external electric field
1
School of Physics and Astronomy, China West Normal University, 637002, Nanchong, China
2
School of Information Science and Engineering, Shangdong University, 266237, Qingdao, China
f
songttphy@gmail.com
g
leijiehong@cwnu.edu.cn
Received:
30
June
2023
Accepted:
4
October
2023
Published online:
4
November
2023
Van der Waals heterostructures have a wide range of applications in the semiconductor industry. Based on the superior properties of C3N and WSe2 monolayers, the stability and electronic properties of C3N/WSe2 vdW heterostructure under strain and external electric field are studied using density functional theory. The results show that the C3N/WSe2 vdW heterostructure has a type-I band alignment and possesses a direct band gap of 0.397 eV. Furthermore, the electric field and biaxial strain not only modulate the C3N/WSe2 band gap, but also induce band alignment (type I to type II) and a direct gap to an indirect gap transition, even undergoing semiconductor-to-metal transition. These results suggest that tunable electronic properties of C3N/WSe2 heterostructure has the potential to be applied in semiconductor devices, especially optoelectronic devices.
Supplementary Information The online version contains supplementary material available at https://doi.org/10.1140/epjp/s13360-023-04556-3.
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© The Author(s), under exclusive licence to Società Italiana di Fisica and Springer-Verlag GmbH Germany, part of Springer Nature 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
