First principles study of BAs/MoSiN van der Waals heterostructure: tunable electronic and optical properties via vertical strain
Physical Chemistry Chemical Physics, ISSN: 1463-9076, Vol: 25, Issue: 41, Page: 28104-28112
2023
- 10Citations
- 5Captures
- 1Mentions
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Article Description
Constructing van der Waals heterostructures from layered materials can form new optoelectronic devices with superior performance to the individual monolayers. Here, we use first-principles calculations to explore the modulation of a two-dimensional BAs/MoSiN van der Waals heterostructure via strain, including the structure stabilities, electronic properties, charge transfer, and optical properties. Our calculated results reveal that the BAs/MoSiN heterostructure has a direct bandgap of 0.72 eV and type-I band alignment. In addition, the BAs/MoSiN heterostructure exhibits enhanced light absorption in the visible light region. The electronic properties of the BAs/MoSiN heterostructure are tunable by vertical strain, exhibiting a direct to indirect bandgap transition as well as a type-I to type-II band alignment transition when the vertical distance is reduced. Our research provides a comprehensive understanding of the electronic and optical properties of the BAs/MoSiN heterostructure and could be helpful for their potential applications in optoelectronic devices.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=85174530557&origin=inward; http://dx.doi.org/10.1039/d3cp03112h; http://www.ncbi.nlm.nih.gov/pubmed/37818606; https://xlink.rsc.org/?DOI=D3CP03112H; https://dx.doi.org/10.1039/d3cp03112h; https://pubs.rsc.org/en/content/articlelanding/2023/cp/d3cp03112h
Royal Society of Chemistry (RSC)
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