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Optical and electronic properties of dichalcogenides WX2 (X=S, Se, and Te) monolayers under biaxial strain

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Abstract The effects of biaxial strain on the electronic structures and optical properties of the two-dimensional WX2 (X = S, Se, and Te) monolayers are investigated by first-principle calculations. The WX2 monolayers… Click to show full abstract

Abstract The effects of biaxial strain on the electronic structures and optical properties of the two-dimensional WX2 (X = S, Se, and Te) monolayers are investigated by first-principle calculations. The WX2 monolayers are direct band gap semiconductors. Spin-orbit coupling has a significant effect on the electronic structures for WX2 monolayers. The band gap, direct-indirect band gap transition, semiconductor to metal transition, dielectric constant, as well as absorption edge can be appropriately adjusted by the biaxial strain means. The superior ability of the WX2 monolayers to modulate the electronic and optical properties provides an opportunity for the application of optoelectronic devices.

Keywords: optical electronic; properties dichalcogenides; electronic properties; wx2 monolayers; band gap; biaxial strain

Journal Title: Physica B: Condensed Matter
Year Published: 2019

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