Phonon-mediated high-temperature superconductivity in clathrate superhydride ThCeH18 under pressure
Abstract Predicting high-temperature superconductivity in hydrogen-rich dense metallic states under pressure remains a significant challenge. The discovery of new phases of metal hydrides is vital for advancing this area of research. In our study, we present the superconducting phases of ThCeH18 usi...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-07-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-025-99738-7 |
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| Summary: | Abstract Predicting high-temperature superconductivity in hydrogen-rich dense metallic states under pressure remains a significant challenge. The discovery of new phases of metal hydrides is vital for advancing this area of research. In our study, we present the superconducting phases of ThCeH18 using a search strategy based on potential energy surfaces and evolutionary algorithms under pressure. Consequently, ThCeH18 is thermodynamically stable in a crystalline hexagonal unit cell with the space group $$P\bar{6}m2$$ , similar to CeLaH18 and LaThH18. The critical importance of hydrogen atoms is demonstrated, showcasing their significant influence on the evolution of T c. Isotropic superconductivity in ThCeH18, driven by electron-phonon interactions and analyzed using the stochastic self-consistent harmonic approximation (SSCHA) to account for anharmonicity, reveals a strong anharmonic correction and strong electron-phonon coupling, resulting in high-temperature superconductivity with a T c of approximately 136 K at 50 GPa.This approach provides a promising direction for identifying new classes of superconducting materials and offers valuable insights into enhancing superconductivity through structural prediction. |
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| ISSN: | 2045-2322 |