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Tunable band gaps in stanene/MoS2 heterostructures

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Abstract

First-principles calculations have been performed to investigate the geometric and electronic properties of stanene layer paired with monolayer MoS2 substrate with van der Waals corrections. It is found that the stanene can absorb on the monolayer MoS2 substrate forming stanene/MoS2 heterostructures, indicating a weak interface interaction. The Dirac point of stanene is still preserved on MoS2 substrate, and the band gap is opened about 67 meV due to the influence of the substrate. Moreover, the band gap is able to be effectively modulated under an external strain and a perpendicular electric field. These results are helpful for exploring the tunability of the electronic properties of stanene absorbed on semiconducting substrate.

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Acknowledgements

This work was supported by the National Natural Science Foundation of China (No. 61675032), the National Basic Research Program of China (973 Program) under Grant No. 2014CB643900, the Open Program of State Key Laboratory of Functional Materials for Informatics, and the Shanghai Pujiang Program (Grant No. 14PJ1410600).

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Authors and Affiliations

  1. State Key Laboratory of Information Photonics and Optical Communications, Beijing University of Posts and Telecommunications, Beijing, 100876, China

    Dan Liang, Hai He, Pengfei Lu & Liyuan Wu

  2. Beijing Computational Science Research Center, Beijing, 100084, China

    Chunfang Zhang & Pengfei Guan

  3. State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai, 200050, China

    Pengfei Lu & Shumin Wang

  4. Photonics Laboratory, Department of Microtechnology and Nanoscience, Chalmers University of Technology, 41296, Gothenburg, Sweden

    Shumin Wang

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  1. Dan Liang
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  2. Hai He
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  3. Pengfei Lu
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  4. Liyuan Wu
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  5. Chunfang Zhang
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Correspondence to Pengfei Lu.

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Liang, D., He, H., Lu, P. et al. Tunable band gaps in stanene/MoS2 heterostructures. J Mater Sci 52, 5799–5806 (2017). https://doi.org/10.1007/s10853-017-0817-z

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  • DOI: https://doi.org/10.1007/s10853-017-0817-z

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