反铁磁性
价(化学)
物理
结晶学
密度泛函理论
谱线
凝聚态物理
化学
量子力学
作者
Atsushi Hariki,Y. Takahashi,J. Kuneš
出处
期刊:Physical review
[American Physical Society]
日期:2024-03-11
卷期号:109 (9)
被引量:9
标识
DOI:10.1103/physrevb.109.094413
摘要
We present a numerical simulation of the x-ray magnetic circular dichroism (XMCD) of the ${L}_{2,3}$ and ${M}_{2,3}$ edges of Ru in antiferromagnetic ${\mathrm{RuO}}_{2}$ 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 N\'eel 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 N\'eel vector is found and shown to be exact in the absence of valence spin-orbit coupling and a core-valence multipolar interaction.
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