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.Focusin...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 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.展开更多
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)+1 种基金the University of Macao(SRG2019-00179-IAPME,MYRG2020-00075-IAPME)the Science and Technology Development Fund from Macao SAR(FDCT-0163/2019/A3).
文摘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 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.
