Structural screening of phosphorus sulfur ternary hydride PSH6 with a high-temperature superconductivity at 130 GPa

doi:10.1007/s11467-022-1227-5

Frontiers of Physics

2023, Vol. 18

Issue (2): 23303 https://doi.org/10.1007/s11467-022-1227-5

本期目录

Structural screening of phosphorus sulfur ternary hydride PSH₆ with a high-temperature superconductivity at 130 GPa

Yu-Long Hai, He-Jin Yan, Yong-Qing Cai(

)

Joint Key Laboratory of the Ministry of Education, Institute of Applied Physics and Materials Engineering, University of Macau, Taipa, Macau, China

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Abstract：

In our study, we constructed a series of inorganic nonmetallic ternary hydrides PSH₆ by first-principles structural screening under pressure of 200 GPa. The structural stability under lower pressure are examined. Focusing on the structural stability, electronic and phonon properties, as well as the possible superconducting properties within the framework of Bardeen−Cooper−Schrieffer (BCS) theory, we show that PSH₆ with space group $\textcolor [R G B] 12, 108, 100 P m 3 ¯ m$ possesses a superconducting transition temperature of 146 K at 130 GPa. In the pressure range of 100−200 GPa, our work suggests that the ternary phosphorus-sulfur-hydrogen would act as a promising compositional and elemental space for achieving high-temperature superconductivity.

Key words： phosphoruses sulfur, hydrides high-temperature superconductivity low-pressure structural screening

收稿日期: 2022-06-24 出版日期: 2022-12-27

Corresponding Author(s): Yong-Qing Cai

引用本文:

. [J]. Frontiers of Physics, 2023, 18(2): 23303.
Yu-Long Hai, He-Jin Yan, Yong-Qing Cai. Structural screening of phosphorus sulfur ternary hydride PSH₆ with a high-temperature superconductivity at 130 GPa. Front. Phys. , 2023, 18(2): 23303.

链接本文:

https://academic.hep.com.cn/fop/CN/10.1007/s11467-022-1227-5
https://academic.hep.com.cn/fop/CN/Y2023/V18/I2/23303

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