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- W4385988085 abstract "Van der Waals Heterostructure (vdwH) has become a research hotspot due to its excellent photoelectric properties. Based on the first principles, the stability, electronic and optical properties of GaS/ZnTe vdwH and SnS2/ZnTe vdwH have been systematically investigated. The results indicate that both of them have typical Type-II band arrangement and direct band gaps of 0.56 eV and 1.39 eV, respectively, showing good stability. What is noteworthy is that the band gap of the heterostructure changes almost linearly with the increase of applied electric field intensity, and the band gap closure occurs at 0.8 V/Å and 0.9 V/Å respectively. Furthermore, the variation curve of the band gap with strain is roughly parabolic, and SnS2/ZnTe vdwH becomes metal at 6% compressive strain. Doping a Se atom in GaS/ZnTe vdwH will increase the band gap and change it into a Type-Ⅰ band arrangement. As for optics, GaS/ZnTe vdwH and SnS2/ZnTe vdwH show better optical absorption performance than monolayer in the visible region, doping, strain and electric field can make the absorption peak of heterostructure shift, and strain and electric field can improve the optical absorption coefficient. These results make clear that GaS/ZnTe vdwH and SnS2/ZnTe vdwH are good candidates for nanodevices and optoelectronic devices in the future." @default.
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- W4385988085 date "2023-10-01" @default.
- W4385988085 modified "2023-10-06" @default.
- W4385988085 title "Electronic and optical properties of Type-II van der Waals heterostructures X-S/ZnTe (X = Ga, Sn) under applied electric field and strain" @default.
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- W4385988085 doi "https://doi.org/10.1016/j.chemphys.2023.112055" @default.
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