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再访钇超氢化物:YH₆、YH₉与YH₁₀的先进实验与理论研究

Yttrium Superhydrides Revisited: Advanced Experimental and Theoretical Studies of YH$_6$, YH$_9$ and YH$_{10}$

Dmitrii V. Semenok, Pedro N. Ferreira, Di Zhou, Fabian Jőbstl, Andrey V. Sadakov, Kirill S. Pervakov, Burkhan I. Massalimov, Toni Helm, Ryosuke Akashi, Vladimir M. Pudalov, Viktor V. Struzhkin, Christoph Heil, Ivan A. Troyan

arXiv 2608.11428首次发表:更新:

AI 中文总结

本研究通过多类实验与理论计算重新探究YH₆、YH₉、YH₁₀的超导性质,发现二元钇超氢化物无室温超导可能,明确了相关超导参数及非谐效应对YH₁₀超导温度的影响。

AI 中文摘要

钇多氢化物是高压超导领域的基准材料,但Y-H体系的若干关键性质仍未得到充分表征。本研究结合接触式输运、非接触式射频测量、脉冲场实验及第一性原理计算,在140-213 GPa压力范围内重新研究YH₆、YH₉与YH₁₀。钇氢化物YH₆(T_c=218-221 K)和YH₉(T_c=235-237 K)呈现窄超导转变(ΔT_c=2-5 K),接近热涨落所限定的极限。对YH₆开展最高60 T的脉冲场测量,构建了扩展超导相图,其线性斜率dB_{c2}/dT=-0.52 T/K,30 T以上出现明显的转变展宽,且正常态磁阻可忽略不计。本研究报道了YH₆的射频交流磁化率研究,通过非接触几何下的高频场屏蔽为超导性提供了证据。涉及Pd引入、Pd薄膜溅射及Al合金化的实验显示,高温超导被强烈抑制,在78-120 K以上未检测到任何转变。最后,采用含随机自洽谐近似的密度泛函理论、超导密度泛函理论及全带宽Migdal-Eliashberg计算,本研究表明非谐效应会将立方YH₁₀的预测T_c大幅降低至约260-270 K。这些结果强烈否定了二元钇超氢化物中存在室温超导的可能性。

英文摘要

Yttrium polyhydrides are benchmark materials in high-pressure superconductivity, yet several key properties of the Y-H system remain insufficiently characterized. Here we combine contact transport, contactless radio-frequency measurements, pulsed-field experiments, and first-principles calculations to reinvestigate YH$_6$, YH$_9$, and YH$_{10}$ in the pressure range 140-213 GPa. Yttrium hydrides YH$_6$ ($\textit{$T_c$}$ = 218-221 K) and YH$_9$ ($\textit{$T_c$}$ = 235-237 K) demonstrate narrow superconducting transitions ($\textit{$Δ$T$_c$}$ = 2-5 K), approaching the limit imposed by thermal fluctuations. Pulsed-field measurements on YH$_6$ up to 60 T establish an extended superconducting phase diagram with a linear slope $\textit{dB$_{c2}$/dT}$ = -0.52 T/K, pronounced transition broadening above 30 T, and negligible normal-state magnetoresistance. We report the radio-frequency AC susceptibility study of YH$_6$, providing evidence for superconductivity via high-frequency field screening in a contactless geometry. Experiments involving Pd incorporation, Pd thin-film sputtering, and Al alloying show strong suppression of high-temperature superconductivity, with no transitions detected above 78-120 K. Finally, using density-functional theory with the stochastic self-consistent harmonic approximation, superconducting density-functional theory, and full-bandwidth Migdal-Eliashberg calculations, we show that anharmonic effects substantially reduce the predicted $\textit{$T_c$}$ of cubic YH$_{10}$ to approximately 260-270 K. These results strongly disfavor room-temperature superconductivity in binary yttrium superhydrides.

CommentsFigure 4 has been expanded, Fig. S2 has been replaced, and the authors' contributions have been clarified

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