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First-principles study of moderate phonon-mediated pairing in high-pressure monoclinic phase of BiS2-based superconductors |
| Jie Cheng(程杰)1,†, Yu-Lan Cheng(程玉兰)2, Bin Li(李斌)1,‡, and Sheng-Li Liu(刘胜利)1 |
1 School of Science, New Energy Technology Engineering Laboratory of Jiangsu Province, Nanjing University of Posts and Telecommunications, Nanjing 210023, China;
2 College of Electronic and Optical Engineering&College of Flexible Electronics(Future Technology), Nanjing University of Posts and Telecommunications, Nanjing, 210023, China |
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Abstract Isotope effect on superconductive transition temperature ($T_{\rm c}$) is an essential indicator to examine whether the mechanism of superconductors is conventional. Unconventional isotope effect of BiS$_{2}$-based superconductors has been previously reported in ambient-pressure tetragonal phase. However, to comprehensively ascertain the nature of superconductivity, the investigation of BiS$_{2}$-based system in high-pressure structure is highly desirable. In this work, we carried out the first-principles calculations of phonon spectra and superconductivity in high-pressure monoclinic phase of LaO$_{0.5}$F$_{0.5}$BiS$_{2}$ with $^{32}$S and $^{34}$S, and observed that the corresponding isotope coefficient is $0.13 \le \alpha\le 0.20$. This value is much greater than that of BiS$_{2}$-based superconductors in ambient-pressure phase, but slightly smaller than that of conventional MgB$_{2}$. Taking into account the calculated $T_{\rm c}$ lower than experimental results, we finally conclude that the moderate phonon-mediated pairing plays a significant role in forming superconductivity of BiS$_{2}$-based system in high-pressure phase, moreover, the cooperative multiple paring interactions should also be considered.
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Received: 12 February 2023
Revised: 07 April 2023
Accepted manuscript online: 17 April 2023
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PACS:
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74.62.Fj
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(Effects of pressure)
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74.25.Kc
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(Phonons)
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31.15.A-
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(Ab initio calculations)
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74.70.-b
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(Superconducting materials other than cuprates)
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| Fund: Project supported by the National Natural Science Foundation of China (Grant No. 12175107) and the Natural Science Foundation of Nanjing University of Posts and Telecommunications (Grant Nos. NY219087 and NY220038). |
Corresponding Authors:
Jie Cheng, Bin Li
E-mail: chengj@njupt.edu.cn;libin@njupt.edu.cn
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Cite this article:
Jie Cheng(程杰), Yu-Lan Cheng(程玉兰), Bin Li(李斌), and Sheng-Li Liu(刘胜利) First-principles study of moderate phonon-mediated pairing in high-pressure monoclinic phase of BiS2-based superconductors 2023 Chin. Phys. B 32 107401
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