Predicted High-Temperature Superconductivity in Rare Earth Hydride ErH$_{2}$ at Moderate Pressure
Yiding Liu1,2 , Qiang Fan3 , Jianhui Yang1 , Lili Wang4 , Weibin Zhang5 , and Gang Yao6,7*
1 College of Mathematics and Physics, Leshan Normal University, Leshan 614004, China2 Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China3 School of New Energy Materials and Chemistry, Leshan Normal University, Leshan 614004, China4 Institute of Computer Application, China Academy of Engineering Physics, Mianyang 621900, China5 College of Physics and Electronics Information, Yunnan Key Laboratory of Optoelectronic Information Technology, Yunnan Normal University, Kunming 650500, China6 School of Physical Science and Technology, Southwest University, Chongqing 400715, China7 Tsung-Dao Lee Institute, Shanghai Jiao Tong University, Shanghai 200240, China
Abstract ：Hydrides offer an opportunity to study high critical temperature (high-$T_{\rm c}$) superconductivity at experimentally achievable pressures. However, the pressure needed remains extremely high. Using density functional theory calculations, herein we demonstrate that a new rare earth hydride ErH$_{2}$ could be superconducting with $T_{\rm c} \sim 80$ K at 14.5 GPa, the lowest reported value for compressed hydrides to date. Intriguingly, due to Kondo destruction, superconductivity was prone to exist at 15 GPa. We also reveal an energy gap at 20 GPa on the background of normal metallic states. At 20 GPa, this compressed system could act as a host of superconductor judged from a sharp jump of spontaneous magnetic susceptibility with an evanescent spin density of state at Fermi level. Finally, electron pairing glue for ErH$_{2}$ at these three typical pressures was attributed to the antiferromagnetic spin fluctuation.
收稿日期: 2022-09-18
出版日期: 2022-12-04
:
74.10.+v
(Occurrence, potential candidates)
74.70.Tx
(Heavy-fermion superconductors)
74.20.Pq
(Electronic structure calculations)
74.62.Fj
(Effects of pressure)
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2022, Vol. 39 
