Xiaomeng Wang, Chi Ding, Qing Lu, Tianheng Huang, Yuhang Li, Junjie Wang, Yu Han, Dingyu Xing, Jian Sun
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Our findings reveal the existence of a hexagonal <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>ThSi</mi><msub><mi mathvariant=\"normal\">H</mi><mn>7</mn></msub></mrow></math> compound with a superconducting <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>T</mi><mi mathvariant=\"normal\">c</mi></msub></math> of 61.5 K at ambient pressure, as estimated by electron-phonon coupling calculations. Interestingly, the H sites in <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>ThSi</mi><msub><mi mathvariant=\"normal\">H</mi><mn>7</mn></msub></mrow></math> materialize a breathing kagome network, equivalent to a triangular lattice of trimer plaquettes, which is entirely different from previously known hydrogen clathrate structures. By substituting Th with lanthanide elements, we discovered that <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>LaSi</mi><msub><mi mathvariant=\"normal\">H</mi><mn>7</mn></msub></mrow></math> and <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>CeSi</mi><msub><mi mathvariant=\"normal\">H</mi><mn>7</mn></msub></mrow></math> are also dynamically stable at 0 GPa, while <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>PrSi</mi><msub><mi mathvariant=\"normal\">H</mi><mn>7</mn></msub></mrow></math> and <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>NdSi</mi><msub><mi mathvariant=\"normal\">H</mi><mn>7</mn></msub></mrow></math> are dynamically stable at 10 and 15 GPa with high <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>T</mi><mi mathvariant=\"normal\">c</mi></msub></math> values of 63.9 and 65.9 K, respectively. Our results provide a system for superconducting hydrides and open a promising avenue for studying ambient pressure high-temperature superconductors.","PeriodicalId":20082,"journal":{"name":"Physical Review B","volume":null,"pages":null},"PeriodicalIF":3.7000,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Prediction of ambient superconductivity in ternary thorium-silicon superhydrides with a breathing kagome lattice\",\"authors\":\"Xiaomeng Wang, Chi Ding, Qing Lu, Tianheng Huang, Yuhang Li, Junjie Wang, Yu Han, Dingyu Xing, Jian Sun\",\"doi\":\"10.1103/physrevb.110.024513\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"A major focus of current research on superconducting superhydrides is to achieve superconductivity at lower pressures, especially ambient pressure. Here we present the prediction of a class of high-temperature ternary hydrogen-rich superconductors, which are metastable at mild pressure and dynamically stable at ambient pressure using crystal structure searching. Our findings reveal the existence of a hexagonal <math xmlns=\\\"http://www.w3.org/1998/Math/MathML\\\"><mrow><mi>ThSi</mi><msub><mi mathvariant=\\\"normal\\\">H</mi><mn>7</mn></msub></mrow></math> compound with a superconducting <math xmlns=\\\"http://www.w3.org/1998/Math/MathML\\\"><msub><mi>T</mi><mi mathvariant=\\\"normal\\\">c</mi></msub></math> of 61.5 K at ambient pressure, as estimated by electron-phonon coupling calculations. Interestingly, the H sites in <math xmlns=\\\"http://www.w3.org/1998/Math/MathML\\\"><mrow><mi>ThSi</mi><msub><mi mathvariant=\\\"normal\\\">H</mi><mn>7</mn></msub></mrow></math> materialize a breathing kagome network, equivalent to a triangular lattice of trimer plaquettes, which is entirely different from previously known hydrogen clathrate structures. By substituting Th with lanthanide elements, we discovered that <math xmlns=\\\"http://www.w3.org/1998/Math/MathML\\\"><mrow><mi>LaSi</mi><msub><mi mathvariant=\\\"normal\\\">H</mi><mn>7</mn></msub></mrow></math> and <math xmlns=\\\"http://www.w3.org/1998/Math/MathML\\\"><mrow><mi>CeSi</mi><msub><mi mathvariant=\\\"normal\\\">H</mi><mn>7</mn></msub></mrow></math> are also dynamically stable at 0 GPa, while <math xmlns=\\\"http://www.w3.org/1998/Math/MathML\\\"><mrow><mi>PrSi</mi><msub><mi mathvariant=\\\"normal\\\">H</mi><mn>7</mn></msub></mrow></math> and <math xmlns=\\\"http://www.w3.org/1998/Math/MathML\\\"><mrow><mi>NdSi</mi><msub><mi mathvariant=\\\"normal\\\">H</mi><mn>7</mn></msub></mrow></math> are dynamically stable at 10 and 15 GPa with high <math xmlns=\\\"http://www.w3.org/1998/Math/MathML\\\"><msub><mi>T</mi><mi mathvariant=\\\"normal\\\">c</mi></msub></math> values of 63.9 and 65.9 K, respectively. 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Prediction of ambient superconductivity in ternary thorium-silicon superhydrides with a breathing kagome lattice
A major focus of current research on superconducting superhydrides is to achieve superconductivity at lower pressures, especially ambient pressure. Here we present the prediction of a class of high-temperature ternary hydrogen-rich superconductors, which are metastable at mild pressure and dynamically stable at ambient pressure using crystal structure searching. Our findings reveal the existence of a hexagonal compound with a superconducting of 61.5 K at ambient pressure, as estimated by electron-phonon coupling calculations. Interestingly, the H sites in materialize a breathing kagome network, equivalent to a triangular lattice of trimer plaquettes, which is entirely different from previously known hydrogen clathrate structures. By substituting Th with lanthanide elements, we discovered that and are also dynamically stable at 0 GPa, while and are dynamically stable at 10 and 15 GPa with high values of 63.9 and 65.9 K, respectively. Our results provide a system for superconducting hydrides and open a promising avenue for studying ambient pressure high-temperature superconductors.
期刊介绍:
Physical Review B (PRB) is the world’s largest dedicated physics journal, publishing approximately 100 new, high-quality papers each week. The most highly cited journal in condensed matter physics, PRB provides outstanding depth and breadth of coverage, combined with unrivaled context and background for ongoing research by scientists worldwide.
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