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X-ray magnetic circular dichroism inRuO2
Physical Review B ( IF 3.2 ) Pub Date : 2024-03-11 , DOI: 10.1103/physrevb.109.094413
A. Hariki , Y. Takahashi , J. Kuneš

We present a numerical simulation of the x-ray magnetic circular dichroism (XMCD) of the L2,3 and M2,3 edges of Ru in antiferromagnetic RuO2 using a combination of density functional plus dynamical mean-field theory and configuration interaction treatment of the Anderson impurity model. We study the dependence of the dichroic spectra on the orientation of the Néel vector and discuss it in the context of altermagnetism. An approximate equivalence between the XMCD spectra for geometries with x rays propagating parallel and perpendicular to the Néel vector is found and shown to be exact in the absence of valence spin-orbit coupling and a core-valence multipolar interaction.

中文翻译:

RuO2 中的 X 射线磁圆二色性

我们提出了 X 射线磁圆二色性 (XMCD) 的数值模拟L2,3中号2,3反铁磁中 Ru 的边缘氧化钌2使用密度泛函加动态平均场理论和安德森杂质模型的构型相互作用处理的组合。我们研究了二向色光谱对尼尔矢量方向的依赖性,并在交变磁性的背景下对其进行了讨论。发现了 X 射线平行和垂直于 Néel 矢量传播的几何形状的 XMCD 光谱之间的近似等价性,并证明在不存在价自旋轨道耦合和核价多极相互作用的情况下是精确的。
更新日期:2024-03-11
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