论文标题
$ \ varepsilon $ -ionr中的磁波动和超导配对
Magnetic fluctuations and superconducting pairing in $\varepsilon$-iron
论文作者
论文摘要
我们通过使用密度功能和动态均值场理论的组合研究了$ \ varepsilon $ - 铁在12至33 GPA的压力下，研究库仑相关效应及其在$ \ varepsilon $ - 铁中的作用。我们的结果表明，低于温度$ \ sim $ 1000 K的费米 - 液体行为的持续存在。发现库仑相关性实质上重新归一化状态的密度，从峰值到费米水平的距离降低到0.4 eV，与在DFT计算中获得的0.75 eV相比。我们发现明显的抗铁磁相关性，伴随着短寿命的局部磁矩的形成。我们将获得的结果用作构建多带贝尔 - 盐分方程的起点，特征值表明，抗磁性自旋波动可能导致$ \ varepsilon $ -fe的超导配对。此外，随着压力的增加，超导不稳定的趋势变得较弱，这可以解释超导性在$ \ sim $ 30 GPA时的消失。
We study Coulomb correlation effects and their role in superconductivity of $\varepsilon$-iron under pressure from 12 to 33 GPa by using a combination of density functional and dynamical mean-field theory. Our results indicate a persistence of the Fermi-liquid behavior below the temperature $\sim$1000 K. The Coulomb correlations are found to substantially renormalize the density of states, reducing the distance from the peak to the Fermi level to 0.4 eV compared to 0.75 eV obtained in DFT calculations. We find significant antiferromagnetic correlations, which are accompanied by the formation of short-lived local magnetic moments. We use the obtained results as a starting point for construction of the multi-band Bethe-Salpeter equation, which eigenvalues indicate that antiferromagnetic spin fluctuations may result in the superconducting pairing in $\varepsilon$-Fe. Moreover, the tendency to superconducting instability becomes weaker with the increase of pressure, which may explain the disappearance of superconductivity at $\sim$30 GPa.
