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- Title
Strain and interfacial defect tailored electronic structures of two-dimensional WSe<sub>2</sub>/h-BN van der Waals heterostructure.
- Authors
Lian, Shuang; Wu, Huifang; Wu, Ping; Sun, Huijuan; An, Yukai
- Abstract
In this work, strain and interfacial defect tailored electronic structures of h-BN/WSe2 heterostructure are investigated systematically. The results show that the WSe2/h-BN heterostructure is a direct bandgap semiconductor (1.211 eV) with type-I band alignment compared with the isolated h-BN and WSe2 monolayers. Applying the in-plane strain can well adjust the electronic structure of heterostructure, resulting in a transition from indirect to direct bandgap at the strain of −2% for the h-BN/WSe2 heterostructures. The bandgap of h-BN/WSe2 heterostructure monotonically increases at the compressive strains from −6% to −2%, whereas decreases at the tensile strains from 0% to 8%. In addition, introducing of vacancy defects and n- or p-type doping can effectively alter the band alignment of heterostructure. When the N and B vacancies or C doping are introduced in the h-BN layer, a significant transform from type-I to type-II band alignment is observed. These results suggest the h-BN/WSe2 heterostructure becomes a good candidate for the application of optoelectronics and nanoelectronics devices.
- Subjects
ELECTRONIC structure; NANOELECTRONICS; HETEROSTRUCTURES; OPTOELECTRONICS; SEMICONDUCTORS
- Publication
International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2023, Vol 37, Issue 31, p1
- ISSN
0217-9792
- Publication type
Article
- DOI
10.1142/S0217979223502776