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- W4310299078 abstract "The shape of energy dispersions near the band-edges plays a decisive role in the transport properties, especially the carrier mobility, of semiconductors. In this work, we design and investigate the γ phase of tin monoxide and monochalcogenides γ-SnX (X = O, S, Se, and Te) through first-principles simulations. γ-SnX is found to be dynamically stable with phonon dispersions containing only positive phonon frequencies. Due to the hexagonal atomic lattice, the mechanical properties of γ-SnX single-layers are directionally isotropic and their elastic constants meet Born's criterion for mechanical stability. Our calculation results indicate that all four single-layers of γ-SnX are semiconductors with the Mexican-hat dispersions. The biaxial strain not only greatly changes the electronic structures of the γ-SnX single-layers, but also can cause a phase transition from semiconductor to metal. Meanwhile, the effects of an electric field on the electron states of γ-SnX single-layers are insignificant. γ-SnX structures have high electron mobility and their electron mobility is highly directional isotropic along the two transport directions x and y. The findings not only initially introduce the γ phase of group IV-VI compounds, but also serve as a premise for further studies on this material family with potential applications in the future, both theoretically and experimentally." @default.
- W4310299078 created "2022-11-30" @default.
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- W4310299078 date "2022-01-01" @default.
- W4310299078 modified "2023-10-13" @default.
- W4310299078 title "Mexican-hat dispersions and high carrier mobility of γ-SnX (X = O, S, Se, Te) single-layers: a first-principles investigation" @default.
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- W4310299078 doi "https://doi.org/10.1039/d2cp04265g" @default.
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