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• W3091932793 abstract "High-efficiency optoelectronic devices require materials with suitable band gap, excellent carrier mobility, strong light-matter interaction, and high thermal- and photostability. Herein, we report two layered materials of group VI, namely, $mathrm{Se}{mathrm{S}}_{2}$ and $mathrm{Te}{mathrm{S}}_{2}$, which meet all those desired criteria. Both materials are stable with 1T-$mathrm{Mo}{mathrm{S}}_{2}$-like structure, and exhibit in-direct gap semiconducting feature and possess extraordinary electronic transport properties with isotropic carrier mobilities outperforming their $mathrm{Mo}{mathrm{S}}_{2}$ analog. Using the $GW$ approach for determining the quasiparticle electronic structure and Bethe-Salpeter equation accounting for the many-body excitonic effects, the optical properties of both materials have been identified. We find that exciton effects are significant in both materials that is characterized by the large binding energy of 0.66 and 0.84 eV for monolayer $mathrm{Se}{mathrm{S}}_{2}$ and $mathrm{Te}{mathrm{S}}_{2}$, respectively. The absorption edges lie in the optimal energy window of $1.0text{--}1.5phantom{rule{0.28em}{0ex}}mathrm{eV}$, which enables strong photoabsorption covering the whole visible-light region. Finally and importantly, we demonstrate that the in-direct nature of those materials can be violated by capping them with 2H-$mathrm{Mo}{mathrm{S}}_{2}$ to form a van der Waals heterostructure, while keeping the gap in the energy favorable region. Those physical and optical characteristics make few-layer $mathrm{Se}{mathrm{S}}_{2}$ and $mathrm{Te}{mathrm{S}}_{2}$ highly appealing for room-temperature light-emitting devices and, particularly, solar harvesting devices." @default.
• W3091932793 created "2020-10-15" @default.
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• W3091932793 date "2020-10-09" @default.
• W3091932793 modified "2023-10-16" @default.
• W3091932793 title "Structural, electronic, and excitonic properties of few-layer <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:mi>Se</mml:mi><mml:msub><mml:mi mathvariant=normal>S</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math> and <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:mi>Te</mml:mi><mml:msub><mml:mi mathvariant=normal>S</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>" @default.
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• W3091932793 doi "https://doi.org/10.1103/physrevmaterials.4.104004" @default.
• W3091932793 hasPublicationYear "2020" @default.
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