Metal hydrides achieve high-Tc superconductivity at low pressure by mimicking high-pressure H3S chemical bonding
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arXiv
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| Auteurs principaux: | , , , , , , |
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| Format: | Preprint |
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2026
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| _version_ | 1866915798396698624 |
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| author | Zhao, Wendi Guo, Shumin Li, Chengda Pandit, Abhiyan Cui, Tian Duan, Defang Miao, Maosheng |
| author_facet | Zhao, Wendi Guo, Shumin Li, Chengda Pandit, Abhiyan Cui, Tian Duan, Defang Miao, Maosheng |
| contents | Compressed hydrides are promising candidates for high-temperature superconductivity, yet achieving simultaneous structural stability and high-Tc at low pressures remains challenging. Here, we introduce a new mechanism for accomplishing this goal by mimicking the bonding characteristics of high-pressure H3S within metal hydrides. Using Li3CuH4 as an example, its Cu-H covalent interaction effectively mimics the core function of the S-H bonding in H3S. This interaction not only induces a high hydrogen-derived electronic density of states at the Fermi level, but also softens the hydrogen phonon modes, thereby significantly enhancing the electron-phonon coupling. Furthermore, embedding the strongly ionic Li3H lattice into the covalent Cu-H framework stabilizes the structure at significantly low pressures via a chemical-template effect, while maintaining high-Tc. Li3CuH4 exhibits excellent thermodynamic stability at 20 GPa, with a Tc of 39.25 K at 12 GPa. Further comprehensive high-throughput studies on Li3MH4 (M = transition metal) compounds uncover general principles applicable to a broader range of compounds. This work establishes a new paradigm for the simultaneous optimization of the stability and high-temperature superconductivity of metal hydrides through complementary sublattice interactions, thus advancing the search for practical and viable superconducting materials. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2602_13584 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Metal hydrides achieve high-Tc superconductivity at low pressure by mimicking high-pressure H3S chemical bonding Zhao, Wendi Guo, Shumin Li, Chengda Pandit, Abhiyan Cui, Tian Duan, Defang Miao, Maosheng Superconductivity Compressed hydrides are promising candidates for high-temperature superconductivity, yet achieving simultaneous structural stability and high-Tc at low pressures remains challenging. Here, we introduce a new mechanism for accomplishing this goal by mimicking the bonding characteristics of high-pressure H3S within metal hydrides. Using Li3CuH4 as an example, its Cu-H covalent interaction effectively mimics the core function of the S-H bonding in H3S. This interaction not only induces a high hydrogen-derived electronic density of states at the Fermi level, but also softens the hydrogen phonon modes, thereby significantly enhancing the electron-phonon coupling. Furthermore, embedding the strongly ionic Li3H lattice into the covalent Cu-H framework stabilizes the structure at significantly low pressures via a chemical-template effect, while maintaining high-Tc. Li3CuH4 exhibits excellent thermodynamic stability at 20 GPa, with a Tc of 39.25 K at 12 GPa. Further comprehensive high-throughput studies on Li3MH4 (M = transition metal) compounds uncover general principles applicable to a broader range of compounds. This work establishes a new paradigm for the simultaneous optimization of the stability and high-temperature superconductivity of metal hydrides through complementary sublattice interactions, thus advancing the search for practical and viable superconducting materials. |
| title | Metal hydrides achieve high-Tc superconductivity at low pressure by mimicking high-pressure H3S chemical bonding |
| topic | Superconductivity |
| url | https://arxiv.org/abs/2602.13584 |