Prediction of ambient pressure superconductivity in cubic ternary hydrides with MH$_6$ octahedra
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arXiv
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| Auteurs principaux: | , , , , , , , , , |
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| Format: | Preprint |
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2024
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| _version_ | 1866911787005247488 |
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| author | Zheng, Feng Zhang, Zhen Wu, Shunqing Lin, Qiubao Wang, Renhai Fang, Yimei Wang, Cai-Zhuang Antropov, Vladimir Sun, Yang Ho, Kai-Ming |
| author_facet | Zheng, Feng Zhang, Zhen Wu, Shunqing Lin, Qiubao Wang, Renhai Fang, Yimei Wang, Cai-Zhuang Antropov, Vladimir Sun, Yang Ho, Kai-Ming |
| contents | Exploring high-temperature superconducting (high-$T_c$) material at ambient pressure holds immense significance for physics, chemistry, and materials science. In this study, we perform a high-throughput screening of strong electron-phonon interactions in X$_2$MH$_6$ compounds (X = Li, Na, Mg, Al, K, Ca, Ga, Rb, Sr, and In; M are $3d$, $4d$, and $5d$ transition metals). These compounds have a cubic structure featuring an MH$_6$ octahedron motif. Our screening calculations suggest that 26 compounds exhibit dynamic stability and strong electron-phonon coupling. Among these 26 compounds, Mg$_2$RhH$_6$, Mg$_2$IrH$_6$, Al$_2$MnH$_6$, and Li$_2$CuH$_6$ show promising energetic stability and $T_c$ of more than 50 K at ambient pressure. This study underscores promising high-$T_c$ compounds at ambient pressure with distinctive MH$_6$ motifs. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2401_17024 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Prediction of ambient pressure superconductivity in cubic ternary hydrides with MH$_6$ octahedra Zheng, Feng Zhang, Zhen Wu, Shunqing Lin, Qiubao Wang, Renhai Fang, Yimei Wang, Cai-Zhuang Antropov, Vladimir Sun, Yang Ho, Kai-Ming Materials Science Superconductivity Exploring high-temperature superconducting (high-$T_c$) material at ambient pressure holds immense significance for physics, chemistry, and materials science. In this study, we perform a high-throughput screening of strong electron-phonon interactions in X$_2$MH$_6$ compounds (X = Li, Na, Mg, Al, K, Ca, Ga, Rb, Sr, and In; M are $3d$, $4d$, and $5d$ transition metals). These compounds have a cubic structure featuring an MH$_6$ octahedron motif. Our screening calculations suggest that 26 compounds exhibit dynamic stability and strong electron-phonon coupling. Among these 26 compounds, Mg$_2$RhH$_6$, Mg$_2$IrH$_6$, Al$_2$MnH$_6$, and Li$_2$CuH$_6$ show promising energetic stability and $T_c$ of more than 50 K at ambient pressure. This study underscores promising high-$T_c$ compounds at ambient pressure with distinctive MH$_6$ motifs. |
| title | Prediction of ambient pressure superconductivity in cubic ternary hydrides with MH$_6$ octahedra |
| topic | Materials Science Superconductivity |
| url | https://arxiv.org/abs/2401.17024 |