Design of superconducting compounds at lower pressure via intercalating XH_(4) molecules(X=B,C,and N)into fcc lattices  

作　　者：Yue Zhao Sihan Liu Jiao Liu Tingting Gu Jian Hao Jingming Shi Wenwen Cui Yinwei Li 赵玥;刘思涵;刘骄;顾婷婷;郝健;石景明;崔文文;李印威(Laboratory of Quantum Functional Materials Design and Application,School of Physics and Electronic Engineering,Jiangsu Normal University,Xuzhou 221116,China)

机构地区：[1]Laboratory of Quantum Functional Materials Design and Application,School of Physics and Electronic Engineering,Jiangsu Normal University,Xuzhou 221116,China

出　　处：《Chinese Physics B》2024年第12期34-38,共5页中国物理B（英文版）

基　　金：Project supported by the National Natural Science Foundation of China(Grant Nos.12074154,12174160,and 11722433);the funding from the Six Talent Peaks Project;333 High-level Talents Project of Jiangsu Province;the Innovation and Entrepreneurship Training Programme for University Students in Jiangsu Province(Grant No.202210320140Y)。

摘　　要：Recently,many encouraging experimental advances have been achieved in ternary hydrides superconductors under high pressure.However,the extreme pressure required is indeed a challenge for practical application,which promotes a further exploration for high temperature(T_(c))superconductors at relatively low pressure.Herein,we performed a systematic theoretical investigation on a series of ternary hydrides with stoichiometry AX_(2)H_(8),which is constructed by interacting molecular XH_(4)(X=B,C,and N)into the fcc metal A lattice under low pressure of 0-150 GPa.We uncovered five compounds which are dynamically stable below 100 GPa,e.g.,AcB_(2)H_(8)(25 GPa),LaB_(2)H_(8)(40 GPa),RbC_(2)H_(8)(40 GPa),CSC_(2)H_(8)(60 GPa),and SrC_(2)H_(8)(65 GPa).Among them,AcB_(2)H_(8),which is energetically stable above 2.5 GPa,exhibits the highest Tcof 32 K at 25 GPa.The superconductivity originates mainly from the coupling between the electron of Ac atoms and the associated low-frequency phonons,distinct from the previous typical hydrides with H-derived superconductivity.Our results shed light on the future exploration of superconductivity among ternary compounds at low pressure.

关 键 词：ternary superconductors low pressure XH_(4) molecules fcc lattice 

分 类 号：O511.3[一般工业技术—材料科学与工程]