Efficient band structure engineering and visible-light response in ZrS2/GaS heterobilayer by electrical field or external strains |
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Authors: | Yanxing Zhang Zongxian Yang |
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Institution: | College of Physics and Materials Science, Henan Normal University, Xinxiang, Henan 453007, China |
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Abstract: | Via first-principle methods, the electronic structures and optical properties of 2D ZrS2/GaS van der Waals heterostructure (vdWH) are studied. It is found that the band alignment changes from type-II to type-I under negative electrical field, and compressive strains. The transition points are -0.2 V/Å and -1%, respectively. The band gap changes efficiently under positive electrical field and compressive strains. The tensile strains increase the optical adsorption coefficients in ultraviolet regions, while the compressive strains increase the optical adsorption coefficients in visible region significantly. |
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Keywords: | Corresponding author Optical properties van der Waals heterostructure Band gap Electrical field Biaxial strain |
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