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- W3217772602 abstract "In this work, we have compared the biaxial strain-induced variations in the band structures of MSe <inf xmlns:mml=http://www.w3.org/1998/Math/MathML xmlns:xlink=http://www.w3.org/1999/xlink>2</inf> ( <tex xmlns:mml=http://www.w3.org/1998/Math/MathML xmlns:xlink=http://www.w3.org/1999/xlink>$mathrm{M}= mathrm{W}$</tex> , Mo) monolayers using density functional theory (DFT) calculations. We determined that the critical biaxial strain range within the bandgap of MSe <inf xmlns:mml=http://www.w3.org/1998/Math/MathML xmlns:xlink=http://www.w3.org/1999/xlink>2</inf> ML remains direct upon application of <tex xmlns:mml=http://www.w3.org/1998/Math/MathML xmlns:xlink=http://www.w3.org/1999/xlink>$varepsilon$</tex> from +6% to −6%. By linear fitting the variation of tensile strain <tex xmlns:mml=http://www.w3.org/1998/Math/MathML xmlns:xlink=http://www.w3.org/1999/xlink>$(varepsilon > 0)$</tex> with K-K (A peak) and <tex xmlns:mml=http://www.w3.org/1998/Math/MathML xmlns:xlink=http://www.w3.org/1999/xlink>$Gamma-mathrm{K}$</tex> (I peak) energy gaps, we have calculated a rate of red-shift in the bandgap of MSe <inf xmlns:mml=http://www.w3.org/1998/Math/MathML xmlns:xlink=http://www.w3.org/1999/xlink>2</inf> ML. Also, we have compared the rate of bandgap tunability of MSe <inf xmlns:mml=http://www.w3.org/1998/Math/MathML xmlns:xlink=http://www.w3.org/1999/xlink>2</inf> ML for all three possible bandgap transition routes, i. e., K - <tex xmlns:mml=http://www.w3.org/1998/Math/MathML xmlns:xlink=http://www.w3.org/1999/xlink>$Sigma_{min}$</tex> , K-K, and <tex xmlns:mml=http://www.w3.org/1998/Math/MathML xmlns:xlink=http://www.w3.org/1999/xlink>$Gamma-mathrm{K}$</tex> energy gaps. We strongly believe that this analysis and insights will help interpret experiments and modeling based on MSe <inf xmlns:mml=http://www.w3.org/1998/Math/MathML xmlns:xlink=http://www.w3.org/1999/xlink>2</inf> ML for future optoelectronic device applications." @default.
- W3217772602 created "2021-12-06" @default.
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- W3217772602 date "2021-09-24" @default.
- W3217772602 modified "2023-10-18" @default.
- W3217772602 title "A comparative study of biaxial strain modulated electronic structure of MSe<sub>2</sub> (M = W, Mo) monolayer" @default.
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- W3217772602 doi "https://doi.org/10.1109/iementech53263.2021.9614846" @default.
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