Thermodynamically stable room-temperature superconductors in Li-Na hydrides under high pressures
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arXiv
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| Autores principales: | , , , , , |
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| Formato: | Preprint |
| Publicado: |
2023
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| _version_ | 1866929652351631360 |
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| author | An, Decheng Duan, Defang Zhang, Zihan Jiang, Qiwen Song, Hao Cui, Tian |
| author_facet | An, Decheng Duan, Defang Zhang, Zihan Jiang, Qiwen Song, Hao Cui, Tian |
| contents | Room-temperature superconductivity has been a long-standing goal for scientific progress and human development. Thermodynamic stability is a prerequisite for material synthesis and application. Here, we perform a combination of high-throughput screening and structural search and uncover two thermodynamically stable room-temperature superconductors, Fd-3m-Li2NaH17 and Pm-3n-LiNa3H23, exhibiting extraordinary critical temperature of 340 K at 300 GPa and 310 K at 350 GPa, respectively. Li2NaH17 possesses the highest Tc among all the thermodynamically stable ternary hydrides hitherto found. The dominated H density of states at the Fermi level and the strong Fermi surface nesting are favorable for the emergence of room-temperature superconductivity. Their excellent superconducting properties help us understand the mechanism of room-temperature superconductivity and find new room-temperature superconductors. Interestingly, the structures of LiNa3H23 and Li2NaH17 equal to the identified type-I and II clathrate geometry. Our results provide a structural reference and theoretical guidance for later experimental structure determination and theoretical search for high temperature superconductors. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2303_09805 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Thermodynamically stable room-temperature superconductors in Li-Na hydrides under high pressures An, Decheng Duan, Defang Zhang, Zihan Jiang, Qiwen Song, Hao Cui, Tian Superconductivity Room-temperature superconductivity has been a long-standing goal for scientific progress and human development. Thermodynamic stability is a prerequisite for material synthesis and application. Here, we perform a combination of high-throughput screening and structural search and uncover two thermodynamically stable room-temperature superconductors, Fd-3m-Li2NaH17 and Pm-3n-LiNa3H23, exhibiting extraordinary critical temperature of 340 K at 300 GPa and 310 K at 350 GPa, respectively. Li2NaH17 possesses the highest Tc among all the thermodynamically stable ternary hydrides hitherto found. The dominated H density of states at the Fermi level and the strong Fermi surface nesting are favorable for the emergence of room-temperature superconductivity. Their excellent superconducting properties help us understand the mechanism of room-temperature superconductivity and find new room-temperature superconductors. Interestingly, the structures of LiNa3H23 and Li2NaH17 equal to the identified type-I and II clathrate geometry. Our results provide a structural reference and theoretical guidance for later experimental structure determination and theoretical search for high temperature superconductors. |
| title | Thermodynamically stable room-temperature superconductors in Li-Na hydrides under high pressures |
| topic | Superconductivity |
| url | https://arxiv.org/abs/2303.09805 |