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Cubic H3S stabilized by halogens: High-temperature superconductors at mild pressure

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Abstract

Superconductivity in compressed sulfur hydride (H3S) at above 200 K has attracted great interest in the study of hydrogen-based superconductors. However, the pressure required to stabilize H3S is 150 GPa, posing significant challenges for experiments. Therefore, it is essential to find a strategy to reduce this pressure. In this study, by introducing halogen atoms into the H-S system, we discovered that hydrogen-based superconductors of H6SX (X = Cl and Br) can be dynamically stable at mild pressures (5 GPa for H6SCl and H6SBr), as confirmed by first-principles calculations. Through the analysis of the bond properties, we revealed that introducing halogen elements would strengthen the H-S covalent bonds to reduce the dynamically stable pressure of H3S. Our study provides a scheme to reduce the superconducting pressure of hydrogen-based superconductors.

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Authors and Affiliations

  1. State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun, 130012, China

    Zihao Huo, Defang Duan, Qiwen Jiang, Zihan Zhang & Tian Cui

  2. Institute of High Pressure Physics, School of Physical Science and Technology, Ningbo University, Ningbo, 315211, China

    Tian Cui

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  1. Zihao Huo
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  2. Defang Duan
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Correspondence to Defang Duan.

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Conflict of interest The authors declare that they have no conflict of interest.

Additional information

This work was supported by the National Natural Science Foundation of China (Grant Nos. 12122405, 52072188, and 12274169), the National Key R&D Program of China (Grant No. 2022YFA1402304), the Program for Changjiang Scholars and Innovative Research Team in University (Grant No. IRT_15R23), and the Jilin Provincial Science and Technology Development Project (Grant No. 20210509038RQ). Some of the calculations were performed at the High Performance Computing Center of Jilin University and using TianHe-1(A) at the National Supercomputer Center in Tianjin.

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Huo, Z., Duan, D., Jiang, Q. et al. Cubic H3S stabilized by halogens: High-temperature superconductors at mild pressure. Sci. China Phys. Mech. Astron. 66, 118211 (2023). https://doi.org/10.1007/s11433-023-2185-1

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