Effect of shear deformation on the electronic and optical properties of stanane

Computational and Theoretical Chemistry(2023)

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摘要
•Hydrogenation transforms stanene from a zero-bandgap quasi-metal to a direct bandgap semiconductor.•Shear deformation can effectively tune the bandgap of stanane.•The shear deformation of the stanane structure causes a red shift of the absorption and reflection peaks.
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关键词
Stanane,Shear deformation,Electronic structure,Optical properties
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