Structural screening of phosphorus sulfur ternary hydride PSH_(6) with a high-temperature superconductivity at 130 GPa

作     者：Yu-Long Hai He-Jin Yan Yong-Qing Cai Yu-Long Hai;He-Jin Yan;Yong-Qing Cai

作者机构：Joint Key Laboratory of the Ministry of EducationInstitute of Applied Physics and Materials EngineeringUniversity of MacaoTaipaMacaoChina 

出 版 物：《Frontiers of physics》 (物理学前沿（英文版）)

年 卷 期：2023年第18卷第2期

页      面：205-211页

核心收录：

学科分类：07[理学] 070205[理学-凝聚态物理] 0702[理学-物理学] 

基　　金：This work was supported by the National Natural Science Foundation of China(Grant 22022309) the Natural Science Foundation of Guangdong Province,China(2021A1515010024) the University of Macao(SRG2019-00179-IAPME,MYRG2020-00075-IAPME) the Science and Technology Development Fund from Macao SAR(FDCT-0163/2019/A3) 

主　　题：phosphoruses sulfur hydrides high-temperature superconductivity low-pressure structural screening 

摘      要：In our study,we constructed a series of inorganic nonmetallic ternary hydrides PSH6 by first-principles structural screening under pressure of 200 *** structural stability under lower pressure are *** 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 possesses a superconducting transition temperature of 146 K at 130 *** 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.