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ARTICLE

Tensile deformation of S adsorbed in a monolayer of ReS₂ affects its electronic structure and optical properties

G. Jiao^a, G. L. Liu^a,*, L. Wei^a, J. W. Zhao^a, G. Y. Zhang^b

a College of Architecture and Civil Engineering, Shenyang University of Technology, Shenyang, Liaoning 1 10870,China
b College of Physics, Shenyang Normal University, Shenyang 1 10034, China

* Corresponding Author:

Chalcogenide Letters 2023, 20(6), 409-421. https://doi.org/10.15251/CL.2023.206.409

Received 16 March 2023; Accepted 10 June 2023;

Abstract

Using density functional theory, the effect of biaxial tensile strain on adsorption of S in ReS₂ monolayer is calculated. The study finds intrinsic ReS₂ system and monolayer ReS₂ adsorbed S system are affected by tensile deformation. Intrinsic ReS₂ has direct band gap. As S appears, the system becomes indirect band gap. With tensile deformation amount of the intrinsic ReS₂ system reaching 10%, the band gap reduces to 0.064eV. The growth rate of reflection and absorption coefficient are decreased by tensile deformation. The maximum reflection and absorption peak undergo red shift, improving the light reflection and absorption ability of adsorption system.

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Keywords

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