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• W3048658937 startingPage "114672" @default.
• W3048658937 abstract "Abstract Based on first-principles calculations, we explore the structural, electronic and optical properties of WS2/GaN heterostructure and its response to strain. Calculations reveal that in-plane compressive strain of 1% can cause the structural instability of WS2/GaN heterostructure while the tensile strain can retain the stability of structure. Under the tensile strain of 10%, the direct bandgap of the WS2/GaN heterostructure can be tuned significantly and its type-II nature of band alignment is preserved. The band offsets at the WS2-GaN interface coupled with the interlayer polarized field can effectively reduce the recombination of the photoinduced electron-hole pairs. Also, the increasing biaxial tensile strain can rouse the optical absorption for near-infrared light, widening the light harvesting of the WS2/GaN heterostructure. In addition, vertical strain can also engineer the electronic properties and optical absorption of the WS2/GaN heterostructure by changing the interlayer coupling. These results indicate that the WS2/GaN heterostructure has potential applications in optoelectronics." @default.
• W3048658937 created "2020-08-18" @default.
• W3048658937 creator A5060549156 @default.
• W3048658937 date "2020-11-01" @default.
• W3048658937 modified "2023-09-29" @default.
• W3048658937 title "Structural stability, tunable electronic and optical properties of two-dimensional WS2 and GaN heterostructure: First-principles calculations" @default.
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• W3048658937 doi "https://doi.org/10.1016/j.mseb.2020.114672" @default.
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