Same-group element replacement enhances superconductivity in clathrate-like YH4
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arXiv
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| Auteurs principaux: | , , , , , , , |
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| Format: | Preprint |
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2025
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| _version_ | 1866909799533248512 |
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| author | Li, Xuejie Hao, Yuzhou Liu, Yujie Wang, Xiaoying Lookman, Turab Sun, Jun Ding, Xiangdong Gao, Zhibin |
| author_facet | Li, Xuejie Hao, Yuzhou Liu, Yujie Wang, Xiaoying Lookman, Turab Sun, Jun Ding, Xiangdong Gao, Zhibin |
| contents | H3S, LaH10, and hydrogen-based compounds have garnered significant interest due to their high-temperature superconducting properties. However, the requirement for extremely high pressures limits their practical applications. In this study, YH4 is adopted as a base material, with partial substitution of Yttrium (Y) by Scandium (Sc), Lanthanum (La), and Zirconium (Zr). Pure YH4, stable at 120 GPa, exhibits a critical temperature (Tc) of 84-95 K. Substituting half of the Y atoms increases Tc to 124.43 K for (Y,Sc)H4 at 100 GPa but reduces it to 101.24 K for (Y,La)H4 at 120 GPa. In contrast, (Y,Zr)H4 at 200 GPa shows a further suppressed Tc of 69.55 K. The remarkable superconductivity in (Y,Sc)H4 might be related to its unique phonon dispersion without optical-acoustic gap, compressed Y-H bonds, and significant electron delocalization under pressure, collectively boosting electron-phonon interactions. Furthermore, the lowest optical phonons play a crucial role in the superconductivity of these materials. This work suggests that substituting Y with same-group metal elements is an effective strategy to enhance Tc in hydride superconductors. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2509_17501 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Same-group element replacement enhances superconductivity in clathrate-like YH4 Li, Xuejie Hao, Yuzhou Liu, Yujie Wang, Xiaoying Lookman, Turab Sun, Jun Ding, Xiangdong Gao, Zhibin Superconductivity Materials Science H3S, LaH10, and hydrogen-based compounds have garnered significant interest due to their high-temperature superconducting properties. However, the requirement for extremely high pressures limits their practical applications. In this study, YH4 is adopted as a base material, with partial substitution of Yttrium (Y) by Scandium (Sc), Lanthanum (La), and Zirconium (Zr). Pure YH4, stable at 120 GPa, exhibits a critical temperature (Tc) of 84-95 K. Substituting half of the Y atoms increases Tc to 124.43 K for (Y,Sc)H4 at 100 GPa but reduces it to 101.24 K for (Y,La)H4 at 120 GPa. In contrast, (Y,Zr)H4 at 200 GPa shows a further suppressed Tc of 69.55 K. The remarkable superconductivity in (Y,Sc)H4 might be related to its unique phonon dispersion without optical-acoustic gap, compressed Y-H bonds, and significant electron delocalization under pressure, collectively boosting electron-phonon interactions. Furthermore, the lowest optical phonons play a crucial role in the superconductivity of these materials. This work suggests that substituting Y with same-group metal elements is an effective strategy to enhance Tc in hydride superconductors. |
| title | Same-group element replacement enhances superconductivity in clathrate-like YH4 |
| topic | Superconductivity Materials Science |
| url | https://arxiv.org/abs/2509.17501 |