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Special Issue:
SPECIAL TOPIC — Structures and properties of materials under high pressure
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| SPECIAL TOPIC — Structures and properties of materials under high pressure |
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Superconductivity in YbN4H12 under low pressures |
| Xiang Wang(汪翔)1, Chenlong Xie(谢晨龙)1, Haohao Hong(洪浩豪)1, Yanliang Wei(魏衍亮)1, Zhao Liu(刘召)1,†, and Tian Cui(崔田)1,2,‡ |
1 Institute of High Pressure Physics, School of Physical Science and Technology, Ningbo University, Ningbo 315211, China;
2 State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China |
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Abstract The emergence of high-temperature superconductivity in hydrogen-rich compounds has opened up promising avenues for investigating unique hydrogen motifs that exhibit exceptional superconducting properties. Nevertheless, the requirement for extremely high synthesis pressures poses significant barriers to experimentally probing potential physical properties. Here, we have designed a structure wherein NH$_{3}$ tetrahedra are intercalated into the body-centered cubic lattice of Yb, resulting in the formation of Yb(NH$_{3}$)$_{4}$. Our first-principles calculations reveal that metallic behavior emerges from the ionization of sp$^{3}$-hybridized $\sigma$-bonds in NH$_{3}$, which is enabled by electron transfer from ytterbium orbitals to NH$_{3}$ anti-bonding $\sigma$-orbitals. A distinctive feature of this structure is the Fermi surface nesting, which leads to optical phonon softening and consequently enhances electron-phonon coupling. The subsequent density-functional theory (DFT) calculations demonstrate that this $I$-43$m$ phase of Yb(NH$_{3}$)$_{4}$ exhibits a superconducting critical temperature ($T_{\rm c}$) of 17.32 K under a modest pressure of 10 GPa. Our investigation presents perspectives on achieving phonon-mediated superconductivity at relatively low pressures, thereby opening up extensive possibilities for the attainment of high-temperature superconductivity in hydrogen-based superconducting systems with specific ionized molecular groups.
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Received: 30 March 2025
Revised: 10 May 2025
Accepted manuscript online: 15 May 2025
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PACS:
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74.25.-q
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(Properties of superconductors)
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74.25.Dw
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(Superconductivity phase diagrams)
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74.25.Jb
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(Electronic structure (photoemission, etc.))
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| Fund: This work was supported by the National Key Research and Development Program of China (Grant Nos. 2023YFA1406200 and 2022YFA1405500), the National Natural Science Foundation of China (Grant Nos. 12304021 and 52072188), Zhejiang Provincial Natural Science Foundation of China (Grant No. LQ23A040004), Program for Science and Technology Innovation Team in Zhejiang (Grant No. 2021R01004),the Natural Science Foundation of Ningbo (Grant No. 2022J091), and the Program for Changjiang Scholars and Innovative Research Team in University (Grant No. IRT 15R23). |
Corresponding Authors:
Zhao Liu, Tian Cui
E-mail: liuzhao@nbu.edu.cn;cuitian@nbu.edu.cn
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Cite this article:
Xiang Wang(汪翔), Chenlong Xie(谢晨龙), Haohao Hong(洪浩豪), Yanliang Wei(魏衍亮), Zhao Liu(刘召), and Tian Cui(崔田) Superconductivity in YbN4H12 under low pressures 2025 Chin. Phys. B 34 087401
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