Qiwen Jiang , Zihan Zhang , Hao Song , Yanbin Ma , Yuanhui Sun , Maosheng Miao , Tian Cui , Defang Duan
{"title":"Ternary superconducting hydrides stabilized via Th and Ce elements at mild pressures","authors":"Qiwen Jiang , Zihan Zhang , Hao Song , Yanbin Ma , Yuanhui Sun , Maosheng Miao , Tian Cui , Defang Duan","doi":"10.1016/j.fmre.2022.11.010","DOIUrl":null,"url":null,"abstract":"<div><p>The discovery of covalent H<sub>3</sub>S and clathrate structure LaH<sub>10</sub> 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<sub>8</sub> (CeBeH<sub>8</sub>) with a “fluorite-type” structure was predicted to be thermodynamically stable above 69 GPa (76 GPa), yielding a <em>T</em><sub>c</sub> 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.</p></div>","PeriodicalId":34602,"journal":{"name":"Fundamental Research","volume":null,"pages":null},"PeriodicalIF":6.2000,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667325822004502/pdfft?md5=ad8b3a67aae4600ecc6587a516c65315&pid=1-s2.0-S2667325822004502-main.pdf","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Fundamental Research","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2667325822004502","RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"Multidisciplinary","Score":null,"Total":0}
引用次数: 0
Abstract
The discovery of covalent H3S and clathrate structure LaH10 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 ThBeH8 (CeBeH8) with a “fluorite-type” structure was predicted to be thermodynamically stable above 69 GPa (76 GPa), yielding a Tc 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.