Journal
APPLIED PHYSICS LETTERS
Volume 120, Issue 10, Pages -Publisher
AIP Publishing
DOI: 10.1063/5.0083736
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Funding
- A*STAR AME IRG [A2083c0057]
- Singapore University of Technology and Design Start-Up Research grant [SRG SCI 2021 163]
- Singapore University of Technology and Design
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Van de Waals heterostructures (VDWH) are an emerging strategy to engineer the electronic properties of two-dimensional material systems. By investigating the synergy of MoSi2N4 with wide-bandgap 2D monolayers of GaN and ZnO, researchers found that MoSi2N4/GaN is a direct bandgap type-I VDWH, while MoSi2N4/ZnO is an indirect bandgap type-II VDWH. Modifying the band structures of these VDWHs by applying electric field or mechanical strain shows promise for ultracompact optoelectronic applications.
Van de Waals heterostructure (VDWH) is an emerging strategy to engineer the electronic properties of two-dimensional (2D) material systems. Motivated by the recent discovery of MoSi2N4-a synthetic septuple-layered 2D semiconductor with exceptional mechanical and electronic properties, we investigate the synergy of MoSi2N4 with wide-bandgap (WBG) 2D monolayers of GaN and ZnO using first-principle calculations. We find that MoSi2N4/GaN is a direct bandgap type-I VDWH, while MoSi2N4/ZnO is an indirect bandgap type-II VDWH. Intriguingly, by applying an electric field or mechanical strain along the out-of-plane direction, the band structures of MoSi2N4/GaN and MoSi2N4/ZnO can be substantially modified, exhibiting rich transitional behaviors, such as the type-I-to-type-II band alignment and the direct-to-indirect bandgap transitions. These findings reveal the potentials of MoSi2N4-based WBG VDWH as a tunable hybrid materials with enormous design flexibility in ultracompact optoelectronic applications.
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