通过增加氢空位浓度提高超氢化镧的超导转变温度

Haoran Chen, Hui Wang, Junren Shi
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引用次数: 0

摘要

在实验样品中发现了多种具有缺氢现象的氯化物超氢超导体,但它们对超导性的影响往往被忽视。在本研究中,我们利用路径积分法从第一性原理出发研究了缺氢超氢镧(LaH$_{10-\delta}$)的超导性。在热波动和量子波动的作用下,氢空位在体系内扩散,导致离子振动、电子结构和电子-声子耦合发生变化。这些变化导致超导转变温度($T_c$)与空位浓度($\delta$)呈非单调依赖关系。通过比较实验和理论状态方程,我们发现 $\delta$ 在不同压力下会随样品的变化而变化。这就解释了在 150 GPa 以下的实验中,$T_c$ 与压力呈正相关。值得注意的是,在这个压力范围内,我们发现可以通过增加 $\delta$ 来进一步提高 $T_c$。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Enhancing superconducting transition temperature of lanthanum superhydride by increasing hydrogen vacancy concentration
Various clathrate superhydride superconductors have been found to possess hydrogen deficiency in experimental samples, while their impacts on superconductivity are often neglected. In this study, we investigate the superconductivity of lanthanum superhydride with hydrogen deficiency (LaH$_{10-\delta}$) from first principles using path-integral approaches. Under the effects of thermal and quantum fluctuations, hydrogen vacancies are found to diffuse within the system, leading to modifications in ion vibrations, electronic structure and electron-phonon coupling. These changes result in a non-monotonic dependence of superconducting transition temperature ($T_c$) on the vacancy concentration ($\delta$). By comparing the experimental and theoretical equations of state, we suggest that $\delta$ varies across samples under different pressures. This explains the positive pressure dependence of $T_c$ in experiments below 150 GPa. Remarkably, within this pressure range, we find that $T_c$ could be further raised by increasing $\delta$.
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