1. High-throughput discovery of robust room-temperature superconductors among complex ternary clathrate hydrides
- Author
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Ma, Tiancheng, An, Decheng, Zhang, Zihan, Wu, Shuting, Cui, Tian, and Duan, Defang
- Subjects
Condensed Matter - Superconductivity - Abstract
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., Comment: 21 pages, 10 figures
- Published
- 2024