Izabela A. Wrona, Paweł Niegodajew, Yinwei Li, Artur P. Durajski
{"title":"预测低压下基于 p 块的三元超导体 XC2H8","authors":"Izabela A. Wrona, Paweł Niegodajew, Yinwei Li, Artur P. Durajski","doi":"10.1038/s41524-024-01490-5","DOIUrl":null,"url":null,"abstract":"<p>Achieving room-temperature superconductivity under ambient conditions is one of the most important goals in solid-state physics and material science. Recent discoveries of high-<i>T</i><sub><i>c</i></sub> superconductivity in binary hydrides H<sub>3</sub>S and LaH<sub>10</sub> at high pressures have focused the search for room-temperature superconductors on dense hydrides with conventional phonon-mediated pairing mechanisms. In this study, we predict a novel family of superconducting ternary hydrides under moderate compression, XC<sub>2</sub>H<sub>8</sub> (X = Ga, In, Tl, Sn, Pb, Sb, Bi, Te, Po). Unlike H<sub>3</sub>S and LaH<sub>10</sub>, these new materials are stable at just around 20 GPa. Among the analyzed compounds, SbC<sub>2</sub>H<sub>8</sub> exhibits the highest critical temperature of 73 K at a pressure of 100 GPa, which is attributed to its energetically favorable high-symmetry crystal structure (<span>\\(Fm{\\bar{3}}m\\)</span>), high density of states at the Fermi level (1.27 states/eV) and strong electron–phonon coupling constant (1.02). We expect that our findings provide crucial insights into achieving high-temperature superconductivity at moderate pressures and accelerate the progress of experimental research.</p>","PeriodicalId":19342,"journal":{"name":"npj Computational Materials","volume":"8 1","pages":""},"PeriodicalIF":9.4000,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Prediction of p-block-based ternary superconductors XC2H8 at low pressure\",\"authors\":\"Izabela A. Wrona, Paweł Niegodajew, Yinwei Li, Artur P. Durajski\",\"doi\":\"10.1038/s41524-024-01490-5\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>Achieving room-temperature superconductivity under ambient conditions is one of the most important goals in solid-state physics and material science. Recent discoveries of high-<i>T</i><sub><i>c</i></sub> superconductivity in binary hydrides H<sub>3</sub>S and LaH<sub>10</sub> at high pressures have focused the search for room-temperature superconductors on dense hydrides with conventional phonon-mediated pairing mechanisms. In this study, we predict a novel family of superconducting ternary hydrides under moderate compression, XC<sub>2</sub>H<sub>8</sub> (X = Ga, In, Tl, Sn, Pb, Sb, Bi, Te, Po). Unlike H<sub>3</sub>S and LaH<sub>10</sub>, these new materials are stable at just around 20 GPa. Among the analyzed compounds, SbC<sub>2</sub>H<sub>8</sub> exhibits the highest critical temperature of 73 K at a pressure of 100 GPa, which is attributed to its energetically favorable high-symmetry crystal structure (<span>\\\\(Fm{\\\\bar{3}}m\\\\)</span>), high density of states at the Fermi level (1.27 states/eV) and strong electron–phonon coupling constant (1.02). We expect that our findings provide crucial insights into achieving high-temperature superconductivity at moderate pressures and accelerate the progress of experimental research.</p>\",\"PeriodicalId\":19342,\"journal\":{\"name\":\"npj Computational Materials\",\"volume\":\"8 1\",\"pages\":\"\"},\"PeriodicalIF\":9.4000,\"publicationDate\":\"2024-12-19\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"npj Computational Materials\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://doi.org/10.1038/s41524-024-01490-5\",\"RegionNum\":1,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"npj Computational Materials","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1038/s41524-024-01490-5","RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Prediction of p-block-based ternary superconductors XC2H8 at low pressure
Achieving room-temperature superconductivity under ambient conditions is one of the most important goals in solid-state physics and material science. Recent discoveries of high-Tc superconductivity in binary hydrides H3S and LaH10 at high pressures have focused the search for room-temperature superconductors on dense hydrides with conventional phonon-mediated pairing mechanisms. In this study, we predict a novel family of superconducting ternary hydrides under moderate compression, XC2H8 (X = Ga, In, Tl, Sn, Pb, Sb, Bi, Te, Po). Unlike H3S and LaH10, these new materials are stable at just around 20 GPa. Among the analyzed compounds, SbC2H8 exhibits the highest critical temperature of 73 K at a pressure of 100 GPa, which is attributed to its energetically favorable high-symmetry crystal structure (\(Fm{\bar{3}}m\)), high density of states at the Fermi level (1.27 states/eV) and strong electron–phonon coupling constant (1.02). We expect that our findings provide crucial insights into achieving high-temperature superconductivity at moderate pressures and accelerate the progress of experimental research.
期刊介绍:
npj Computational Materials is a high-quality open access journal from Nature Research that publishes research papers applying computational approaches for the design of new materials and enhancing our understanding of existing ones. The journal also welcomes papers on new computational techniques and the refinement of current approaches that support these aims, as well as experimental papers that complement computational findings.
Some key features of npj Computational Materials include a 2-year impact factor of 12.241 (2021), article downloads of 1,138,590 (2021), and a fast turnaround time of 11 days from submission to the first editorial decision. The journal is indexed in various databases and services, including Chemical Abstracts Service (ACS), Astrophysics Data System (ADS), Current Contents/Physical, Chemical and Earth Sciences, Journal Citation Reports/Science Edition, SCOPUS, EI Compendex, INSPEC, Google Scholar, SCImago, DOAJ, CNKI, and Science Citation Index Expanded (SCIE), among others.