The typical two-dimensional semiconductors, group IIIA chalcogenides, have garnered tremendous interest for their outstanding electronic, mechanical, and chemical properties. However, so far, there have been rare reports on boron monosulfides (BS) binary material. Here, four two-dimensional BS sheets, namely, the α-, β-, γ-, and δ-BS sheets, are proposed and discussed from first principles calculations. State-of-the-art calculations reveal all these structures are thermally and dynamically stable, indicating the potential for experimental synthesis. Specifically, for α-BS, it has a calculated exfoliation energy of 0.96 J m−2, suggesting that the preparation of α-BS is feasible by the exfoliation of bulk rhombohedral-BS. Our results show that α-, β-, and γ-BS are semiconductors, whereas δ-BS is a metallic system. Remarkably, our calculations indicate that δ-BS is a superconductor with a large electron-phonon coupling (λ 1.51), leading to a high superconducting critical temperature (Tc 21.56 K), which is the interesting property with intrinsic superconducting among all two-dimensional group IIIA chalcogenides. The potential of semiconducting BS monolayers as the gas-sensor or thermoelectric materials is also demonstrated.
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6 July 2020
Research Article|
July 06 2020
Versatile two-dimensional boron monosulfide polymorphs with tunable bandgaps and superconducting properties
Dong Fan
;
Dong Fan
College of Materials Science and Engineering, Zhejiang University of Technology
, Hangzhou 310014, China
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Shaohua Lu;
Shaohua Lu
College of Materials Science and Engineering, Zhejiang University of Technology
, Hangzhou 310014, China
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Chengke Chen;
Chengke Chen
College of Materials Science and Engineering, Zhejiang University of Technology
, Hangzhou 310014, China
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Meiyan Jiang;
Meiyan Jiang
College of Materials Science and Engineering, Zhejiang University of Technology
, Hangzhou 310014, China
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Xiao Li;
Xiao Li
College of Materials Science and Engineering, Zhejiang University of Technology
, Hangzhou 310014, China
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Xiaojun Hu
Xiaojun Hu
a)
College of Materials Science and Engineering, Zhejiang University of Technology
, Hangzhou 310014, China
a)Author to whom correspondence should be addressed: huxj@zjut.edu.cn
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a)Author to whom correspondence should be addressed: huxj@zjut.edu.cn
Appl. Phys. Lett. 117, 013103 (2020)
Article history
Received:
February 28 2020
Accepted:
June 20 2020
Citation
Dong Fan, Shaohua Lu, Chengke Chen, Meiyan Jiang, Xiao Li, Xiaojun Hu; Versatile two-dimensional boron monosulfide polymorphs with tunable bandgaps and superconducting properties. Appl. Phys. Lett. 6 July 2020; 117 (1): 013103. https://doi.org/10.1063/5.0006059
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