超导电性
材料科学
凝聚态物理
声子
延展性(地球科学)
环境压力
费米能级
氢
联轴节(管道)
转变温度
合金
态密度
高温超导
液氮
软模式
软化
谱线
电子结构
晶体缺陷
作者
Chong Tian,Juan Du,Hongxia Zhong,Yaohui Zhu,Xinqiang Wang,Junjie Shi
出处
期刊:Physical review
[American Physical Society]
日期:2025-10-01
卷期号:112 (13)
被引量:1
摘要
Ductile high-temperature superconductors are essential for engineering applications such as superconducting tapes and wires. However, materials that simultaneously exhibit mechanical ductility and a superconducting transition temperature (${T}_{c}$) above liquid nitrogen temperature remain scarce. In this study, we start with the experimentally reported ${\mathrm{Al}}_{7}\mathrm{Mg}$ alloy and investigate the structures, electron-phonon coupling (EPC), and superconducting properties of various ${\mathrm{Al}}_{7}{\mathrm{MgH}}_{2}$ configurations through first-principles calculations combined with statistical methods. Statistical analysis reveals that the percentage contribution of H density of states at the Fermi level (${E}_{F}$) and the H local space are two factors determining superconductivity. While the hydrogen occupation site has a negligible effect on the electronic structure, it significantly alters the phonon spectra. Specifically, the intrinsic vibrational modes of H are primarily associated with phonon frequencies, whereas the local chemical environment of H strongly influences EPC through phonon spectra softening or hardening, as demonstrated through our analysis of H phonon splitting and vibrational mode visualization. The predicted ${\mathrm{Al}}_{7}{\mathrm{MgH}}_{2}$ crystal can sustain superconductivity up to 64 K at ambient pressure while exhibiting excellent ductility comparable to that of Al and AlMg alloys. Our results show that AlMg-based hydrides may bridge the gap in the absence of ductile superconductors near the liquid-nitrogen temperature and offer a different perspective on how interstitial hydrogen configurations affect conventional $s$-wave superconductivity.
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