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- W4386942110 abstract "The recent synthesis of MoSi2N4 material, along with theoretical predictions encompassing the entire family of chemical analogs, has opened up a new array of low-dimensional materials for a diverse range of optoelectronics and photovoltaics applications. In this study, we conducted state-of-the-art many-body first-principles calculations to analyze the quasi-particle electronic structure of the material class MSi2Z4 (where M = Mo, W, and Z = N, P, As, Sb). All monolayers display a direct band gap at the K point, with the exception of MoSi2N4. In tungsten-based compounds, the fundamental-gap can be adjusted over a significantly broader energy range compared to their molybdenum-based counterparts. Additionally, increasing atomic weight of the Z, both the band gap and exciton binding energies decrease. A noteworthy feature is the absence of a lateral valley ({Lambda} or Q) near the conduction band minimum, indicating potential higher photoluminescence efficiencies compared to conventional transition-metal dichalcogenide monolayers. The optical spectra of these materials are predominantly characterized by tightly bound excitons, leading to an absorption onset in the visible range (for N-based) and in the infrared region (for others). This diversity offers promising opportunities to incorporate these materials and their heterostructures into optoelectronic devices, with tandem solar cells being particularly promising." @default.
- W4386942110 created "2023-09-22" @default.
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- W4386942110 date "2023-09-20" @default.
- W4386942110 modified "2023-09-29" @default.
- W4386942110 title "Composition-dependent absorption of radiation in semiconducting MSi2Z4 Monolayers" @default.
- W4386942110 doi "https://doi.org/10.48550/arxiv.2309.11163" @default.
- W4386942110 hasPublicationYear "2023" @default.
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