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• W3083403876 abstract "A full sp 3 d 5 tight‐binding model (TBM) is used to calculate the band structure of Mo x W 1– x S 2 alloy monolayers and armchair nanoribbons. First, the parameters required for the alloy system are extracted from density functional theory. Then, TBM is used to enable a larger computational domain for the alloy system. Herein, the electronic properties of Mo x W 1– x S 2 alloys, such as the band structure, bandgap, and density‐of‐states effective mass, are determined computationally. These properties could be useful in the design of future devices." @default.
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• W3083403876 date "2020-09-18" @default.
• W3083403876 modified "2023-10-18" @default.
• W3083403876 title "Studies of 2D Bulk and Nanoribbon Band Structures in Mo_<i>x</i>W_1–<i>x</i>S₂ Alloy System Using Full sp³d⁵ Tight‐Binding Model" @default.
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• W3083403876 doi "https://doi.org/10.1002/pssb.202000375" @default.
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