Tunable electronic properties and band alignments of MoSi<sub>2</sub>N<sub>4</sub>/GaN and MoSi<sub>2</sub>N<sub>4</sub>/ZnO van der Waals heterostructures
نویسندگان
چکیده
Van de Waals heterostructure (VDWH) is an emerging strategy to engineer the electronic properties of two-dimensional (2D) material systems. Motivated by recent discovery MoSi 2 N 4 -a synthetic septuple-layered 2D semiconductor with exceptional mechanical and properties, we investigate synergy wide-bandgap (WBG) monolayers GaN ZnO using first-principle calculations. We find that /GaN a direct bandgap type-I VDWH, while /ZnO indirect type-II VDWH. Intriguingly, applying electric field or strain along out-of-plane direction, band structures can be substantially modified, exhibiting rich transitional behaviors, such as type-I-to-type-II alignment direct-to-indirect transitions. These findings reveal potentials -based WBG VDWH tunable hybrid materials enormous design flexibility in ultracompact optoelectronic applications.
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ژورنال
عنوان ژورنال: Applied Physics Letters
سال: 2022
ISSN: ['1520-8842', '0003-6951', '1077-3118']
DOI: https://doi.org/10.1063/5.0083736