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Prediction of novel layered indium halide superconductors |
| Zhi-Hong Yuan(袁志红)1,2, Jing-Jing Meng(孟静静)1, Rui Liu(刘瑞)1, Peng-Yu Zheng(郑鹏宇)1, and Zhi-Ping Yin(殷志平)1,3,† |
1 School of Physics & Astronomy and Center for Advanced Quantum Studies, Beijing Normal University, Beijing 100875, China;
2 School of Physics and Information Engineering, Shanxi Normal University, Taiyuan 030031, China;
3 Key Laboratory of Multiscale Spin Physics (Ministry of Education), Beijing Normal University, Beijing 100875, China |
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Abstract We design two new layered indium halide compounds LaOInF$_{2}$ and LaOInCl$_{2}$ by means of first-principles calculations and evolutionary crystal structure prediction. We find both compounds crystallize in a tetragonal structure with $P4/nmm$ space group and have indirect band gaps of 2.58 eV and 3.21 eV, respectively. By substituting O with F, both of them become metallic and superconducting at low temperature. The F-doping leads to strong electron-phonon coupling in the low-energy acoustic phonon modes which is mainly responsible for the induced superconductivity. The total electron-phonon coupling strength are 1.86 and 1.48, while the superconducting transition temperature ($T_{\rm c}$) are about 7.2 K and 6.5 K with 10% and 5% F doping for LaOInF$_{2}$ and LaOInCl$_{2}$, respectively.
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Received: 06 May 2024
Revised: 20 July 2024
Accepted manuscript online: 01 August 2024
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PACS:
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74.10.+v
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(Occurrence, potential candidates)
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74.70.-b
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(Superconducting materials other than cuprates)
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63.20.dk
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(First-principles theory)
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63.20.kd
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(Phonon-electron interactions)
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| Fund: Project supported by the Fundamental Research Funds for the Central Universities (Grant No. 2243300003), the National Natural Science Foundation of China (Grant No. 12074041), and the Fundamental Research Program of Shanxi Province, China (Grant No. 202203021222228). |
Corresponding Authors:
Zhi-Ping Yin
E-mail: yinzhiping@bnu.edu.cn
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Cite this article:
Zhi-Hong Yuan(袁志红), Jing-Jing Meng(孟静静), Rui Liu(刘瑞), Peng-Yu Zheng(郑鹏宇), and Zhi-Ping Yin(殷志平) Prediction of novel layered indium halide superconductors 2024 Chin. Phys. B 33 107401
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