期刊
JOURNAL OF PHYSICS D-APPLIED PHYSICS
卷 53, 期 5, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.1088/1361-6463/ab50f9
关键词
heterobilayers; interface characteristics; optical properties; electric field
资金
- National Natural Science Foundation of China [11674084]
- Program for Science and Technology Innovation Talents in Universities of Henan Province [18HASTIT029]
Since the Janus MoSSe monolayer was fabricated in 2017, it has attracted increasing attention because the out-of-plane mirror symmetry is broken. Here, based on first-principles calculations, we construct theoretically 2D Janus MoSSe/GaN van der Waals (vdW) heterobilayers, and demonstrate that it has direct band structure and a broad optical absorption spectrum from visible to the UV region. Interestingly, the S- and Se-interface can induce straddling type-I and staggered type-II band alignments, and the gap values are modified. Moreover, the interlayer coupling and electronic field effects on electronic structures depend on the interface characteristics in Janus MoSSe/GaN heterobilayers. The studies provide the idea to modify the electronic characteristics using interface characteristics in the 2D materials-based vdW heterostructures.
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