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- W4289937863 abstract "Two-dimensional (2D) van der Waals heterostructures (vdWHs) are attractive candidates for realizing tunnel field-effect transistors (TFETs) for low-power applications. In this work, using first-principles calculations based on density functional theory (DFT), we explore heterostructures composed of 2D $mathrm{Mo}{mathrm{Te}}_{2}$ and $mathrm{Sn}{mathrm{Se}}_{2}$. Our calculations reveal that upon forming the heterostructures, the valence band top of $mathrm{Mo}{mathrm{Te}}_{2}$ and the conduction band bottom of $mathrm{Sn}{mathrm{Se}}_{2}$ are almost aligned, forming the nearly broken-gap or type-III band alignment which is highly promising for TFETs. Interestingly, we find that the band alignment can be tuned by applying external electric fields. For positive electric fields, $mathrm{Mo}{mathrm{Te}}_{2}$ $(mathrm{Sn}{mathrm{Se}}_{2})$ band-edge positions are shifted upward (downward) with respect to the Fermi level, and more electrons are expected to tunnel from $mathrm{Mo}{mathrm{Te}}_{2}$ to $mathrm{Sn}{mathrm{Se}}_{2}$. Overall, our simulations provide fundamental insights into the electronic properties of $mathrm{Mo}{mathrm{Te}}_{2}/mathrm{Sn}{mathrm{Se}}_{2}$ stacks, and pave the way for the design and fabrication of future $mathrm{Mo}{mathrm{Te}}_{2}/mathrm{Sn}{mathrm{Se}}_{2}$-based TFETs." @default.
- W4289937863 created "2022-08-06" @default.
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- W4289937863 date "2022-08-05" @default.
- W4289937863 modified "2023-09-30" @default.
- W4289937863 title "Two-dimensional <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:mi>Mo</mml:mi><mml:msub><mml:mi>Te</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mo>/</mml:mo><mml:mi>Sn</mml:mi><mml:msub><mml:mi>Se</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math> van der Waals heterostructures for tunnel-FET applications" @default.
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- W4289937863 doi "https://doi.org/10.1103/physrevmaterials.6.084001" @default.
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