Ternary superconducting hydrides stabilized via Th and Ce elements at mild pressures  

作　　者：Qiwen Jiang Zihan Zhang Hao Song Yanbin Ma Yuanhui Sun Maosheng Miao Tian Cui Defang Duan 

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 [3]College of Physics,Harbin University of Science and Technology,Harbin 150080,China [4]Department of Chemistry and Biochemistry,California State University Northridge,Los Angeles 91330,United States

出　　处：《Fundamental Research》2024年第3期550-556,共7页自然科学基础研究（英文版）

基　　金：supported by the National Natural Science Foundation of China(12122405,12274169,52072188 and 11904067);National Key R&D Program of China(2018YFA0305900 and 2022YFA1402304);Program for Changjiang Scholars and Innovative Research Team in University(IRT_15R23);and Jilin Provincial Science and Technology Development Project(20210509038RQ).

摘　　要：The discovery of covalent H_(3)S and clathrate structure LaH_(10) with excellent superconducting critical temperatures at high pressures has facilitated a multitude of research on compressed hydrides.However,their superconducting pressures are too high(generally above 150 GPa),thereby hindering their application.In addition,making room-temperature superconductivity close to ambient pressure in hydrogen-based superconductors is challenging.In this work,we calculated the chemically“pre-compressed”Be-H by heavy metals Th and Ce to stabilize the superconducting phase near ambient pressure.An unprecedented ThBeH_(8)(CeBeH_(8))with a“fluorite-type”structure was predicted to be thermodynamically stable above 69 GPa(76 GPa),yielding a T_(c) of 113 K(28 K)decompressed to 7 GPa(13 GPa)by solving the anisotropic Migdal–Eliashberg equations.Be-H vibrations play a vital role in electron–phonon coupling and structural stability of these ternary hydrides.Our results will guide further experiments toward synthesizing ternary hydride superconductors at mild pressures.

关 键 词：High pressure Hydrides SUPERCONDUCTIVITY Ab initio calculations Electron-phononcoupling 

分 类 号：O613.2[理学—无机化学]