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Abstract:
Since the prediction of multi-hydrogen high-temperature superconductor by Ashcroft in 2004, many possible candidates have been proposed, e.g., LaH10 showing the highest superconducting transition temperature (T-c) around 250-260 K at 170-200 GPa hitherto. However, this pressure is too large to be taken into practical use. To address this challenge, it proposes a few-hydrogen metal-bonded perovskite superconductor, MgHCu3, by combining a novel design idea with first-principles calculations. Different from multi-hydrogen hydrides, whose high T-c relies on extreme pressure, the metallic bond in few-hydrogen superconductor MgHCu3 improves the structural stability and ductility at atmospheric pressure. Here, the small amount of hydrogen is found to be vital for T-c. After the incorporation of hydrogen, the electron-phonon coupling constant of MgHCu3 is increased to 0.83, which is larger than that of the well-known MgB2. Moreover, the anisotropy of MgHCu3 also plays an important role in enhancing T-c. Based on the Migdal-Eliashberg theory, it predicts that the phonon-mediated metal-bonded perovskite MgHCu3 is a superconductor with T-c of 42 K. The first predicted ternary metal-bonded perovskite, MgHCu3, enriches the family of perovskite and will promote further investigation on few-hydrogen superconductors under atmospheric pressure.
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ADVANCED FUNCTIONAL MATERIALS
ISSN: 1616-301X
Year: 2023
Issue: 11
Volume: 34
1 9 . 0 0 0
JCR@2022
Cited Count:
WoS CC Cited Count: 10
SCOPUS Cited Count: 9
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 8
Affiliated Colleges: