{"title":"Superconducting ternary hydrides under high pressure","authors":"Xiaohua Zhang, Yaping Zhao, Guochun Yang","doi":"10.1002/wcms.1582","DOIUrl":null,"url":null,"abstract":"<p>Achieving room-temperature superconductivity is an important goal in chemistry and physics. Excitingly, pressure-induced superconducting hydrides, a typical representative of LaH<sub>10</sub> with a critical temperature (<i>T</i><sub>c</sub>) of 250–260 K around 180–200 GPa, bring this goal within reach, igniting an irresistible wave of discovering new H-containing superconductors. Moreover, this breakthrough finding was achieved under the guidance of theoretical prediction. Thus far, the superconductivity of binary hydrides has been extensively explored. However, the high-temperature superconductor, facilitating practical application, is still rare. Ternary hydrides can provide more abundant structures resulting from diverse chemical compositions and synergistic charge transfer, combine the merits of different elements, and induce strong electron–phonon coupling, which make them an appealing contender for superconductors. Recently, much research progress has been made in pressure-induced superconducting ternary hydrides. In this regard, we summarize the recent development of superconducting ternary hydrides, highlighting the chemical composition, structure, pressure, and <i>T</i><sub>c</sub> value as well as the study of doping/substitution on the known superconducting binary hydrides. The recent state-of-the-art of theoretical approaches for predicting superconductors and fundamental characters of ternary hydrides with high <i>T</i><sub>c</sub> are outlined. On the other hand, the problems, challenges, and opportunities are presented, providing an outlook for future research.</p><p>This article is categorized under:\n </p>","PeriodicalId":236,"journal":{"name":"Wiley Interdisciplinary Reviews: Computational Molecular Science","volume":"12 3","pages":""},"PeriodicalIF":16.8000,"publicationDate":"2021-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"21","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Wiley Interdisciplinary Reviews: Computational Molecular Science","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/wcms.1582","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 21
Abstract
Achieving room-temperature superconductivity is an important goal in chemistry and physics. Excitingly, pressure-induced superconducting hydrides, a typical representative of LaH10 with a critical temperature (Tc) of 250–260 K around 180–200 GPa, bring this goal within reach, igniting an irresistible wave of discovering new H-containing superconductors. Moreover, this breakthrough finding was achieved under the guidance of theoretical prediction. Thus far, the superconductivity of binary hydrides has been extensively explored. However, the high-temperature superconductor, facilitating practical application, is still rare. Ternary hydrides can provide more abundant structures resulting from diverse chemical compositions and synergistic charge transfer, combine the merits of different elements, and induce strong electron–phonon coupling, which make them an appealing contender for superconductors. Recently, much research progress has been made in pressure-induced superconducting ternary hydrides. In this regard, we summarize the recent development of superconducting ternary hydrides, highlighting the chemical composition, structure, pressure, and Tc value as well as the study of doping/substitution on the known superconducting binary hydrides. The recent state-of-the-art of theoretical approaches for predicting superconductors and fundamental characters of ternary hydrides with high Tc are outlined. On the other hand, the problems, challenges, and opportunities are presented, providing an outlook for future research.
期刊介绍:
Computational molecular sciences harness the power of rigorous chemical and physical theories, employing computer-based modeling, specialized hardware, software development, algorithm design, and database management to explore and illuminate every facet of molecular sciences. These interdisciplinary approaches form a bridge between chemistry, biology, and materials sciences, establishing connections with adjacent application-driven fields in both chemistry and biology. WIREs Computational Molecular Science stands as a platform to comprehensively review and spotlight research from these dynamic and interconnected fields.