Cubic H_(3)S stabilized by halogens:High-temperature superconductors at mild pressure  

作　　者：Zihao Huo Defang Duan Qiwen Jiang Zihan Zhang Tian Cui 

机构地区：[1]State Key Laboratory of Superhard Materials,College of Physics,Jilin University,Changchun,130012,China [2]Institute of High Pressure Physics,School of Physical Science and Technology,Ningbo University,Ningbo,315211,China

出　　处：《Science China(Physics,Mechanics & Astronomy)》2023年第11期198-205,共8页中国科学：物理学、力学、天文学（英文版）

基　　金：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);the Jilin Provincial Science and Technology Development Project(Grant No.20210509038RQ)。

摘　　要：Superconductivity in compressed sulfur hydride(H_(3)S)at above 200 K has attracted great interest in the study of hydrogen-based superconductors.However,the pressure required to stabilize H_(3)S 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 H_(6)SX(X=Cl and Br)can be dynamically stable at mild pressures(5 GPa for H_(6)SCl and H_(6)SBr),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 H_(3)S.Our study provides a scheme to reduce the superconducting pressure of hydrogen-based superconductors.

关 键 词：electron-phonon coupling SUPERCONDUCTIVITY hydrides first-principles calculation 

分 类 号：O511.3[一般工业技术—材料科学与工程]