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Tunable reverse rectification of layed Janus MSeS (M = Hf, Zr) and SnS2 heterojunctions

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Abstract

Two-dimensional (2D) Janus transition metal dichalcogenides (JTMDs) exhibit suitable band gaps and strong visible light absorption, which are extensively applied to the field of optoelectronic devices. Here, we investigate the electronic properties of 2D JTMDs MSeS (M = Hf, Zr) and SnS2 van der Waals heterojunction through density functional theory. The calculated electronic properties reveal that ZrSeS/SnS2 heterojunction has a type-I band alignment, while HfSeS/SnS2 heterojunction has a type-II band alignment. We build the diodes based on the MSeS (M = Hf, Zr)/SnS2 heterojunctions and study the electronic transport. The currents of the devices exhibit asymmetry, and the negative turn-on voltages suggest that constructed devices are backward diodes. Moreover, it is found that the gate voltage can modulate the rectifying ratio, and the rectifying performance of ZrSeS/SnS2 is better than that of HfSeS/SnS2..

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Acknowledgements

This work is supported by National Natural Science Foundation Joint Fund Key Project under Grant No. U1865206, National Science and Technology Major Project under Grant No. 2017- VII-0012-0107, Guangdong Province Key Area R&D Program under Grant No. 2019B090909002.

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Authors and Affiliations

  1. School of Science, Jiangnan University, Wuxi, 214122, China

    Jinghua Pan, Sicheng Jing, Wen Chen, Wei Li, Yu Wang & Baoan Bian

  2. College of Nuclear Science and Technology, Beijing Normal University, Beijing, 100875, China

    Bin Liao

  3. Guangdong Guangxin Ion Beam Technology Co., Ltd, Guangzhou, 510000, China

    Guoliang Wang

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  1. Jinghua Pan
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  2. Sicheng Jing
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  3. Wen Chen
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Pan, J., Jing, S., Chen, W. et al. Tunable reverse rectification of layed Janus MSeS (M = Hf, Zr) and SnS2 heterojunctions. J Comput Electron 21, 1220–1228 (2022). https://doi.org/10.1007/s10825-022-01938-1

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