High-throughput discovery of robust room-temperature superconductors among complex ternary clathrate hydrides
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arXiv
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| Auteurs principaux: | , , , , , |
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| Format: | Preprint |
| Publié: |
2024
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| _version_ | 1866917871850881024 |
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| author | Ma, Tiancheng An, Decheng Zhang, Zihan Wu, Shuting Cui, Tian Duan, Defang |
| author_facet | Ma, Tiancheng An, Decheng Zhang, Zihan Wu, Shuting Cui, Tian Duan, Defang |
| contents | After the decade-long exhaustive study of binary high-Tc superconducting hydrides, the frontier of this stimulating research field has recently shifted to ternary hydrides with much expanded conformational space in search of coveted room-temperature superconductors. This task, however, presents a formidable challenge due to enormous demands on computational resources. Here, we devise an efficient high-throughput approach using keen material insights and a self-built database to screen for robust ternary hydrides in clathrate structures, which were proven to host highest Tc in binary hydrides, and to estimate Tc by a reliable empirical formula. This approach has made it possible to uncover a diverse set of complex multiple-hydrogen-cage ternary hydrides hosting near or above room-temperature Tc, which are beyond the reach of prevailing structure search methods. This study establishes a distinct paradigm that opens a fresh avenue to enable and accelerate the discovery of promising room-temperature superconductors among unprecedented complex clathrate hydrides. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2412_13431 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | High-throughput discovery of robust room-temperature superconductors among complex ternary clathrate hydrides Ma, Tiancheng An, Decheng Zhang, Zihan Wu, Shuting Cui, Tian Duan, Defang Superconductivity After the decade-long exhaustive study of binary high-Tc superconducting hydrides, the frontier of this stimulating research field has recently shifted to ternary hydrides with much expanded conformational space in search of coveted room-temperature superconductors. This task, however, presents a formidable challenge due to enormous demands on computational resources. Here, we devise an efficient high-throughput approach using keen material insights and a self-built database to screen for robust ternary hydrides in clathrate structures, which were proven to host highest Tc in binary hydrides, and to estimate Tc by a reliable empirical formula. This approach has made it possible to uncover a diverse set of complex multiple-hydrogen-cage ternary hydrides hosting near or above room-temperature Tc, which are beyond the reach of prevailing structure search methods. This study establishes a distinct paradigm that opens a fresh avenue to enable and accelerate the discovery of promising room-temperature superconductors among unprecedented complex clathrate hydrides. |
| title | High-throughput discovery of robust room-temperature superconductors among complex ternary clathrate hydrides |
| topic | Superconductivity |
| url | https://arxiv.org/abs/2412.13431 |