CrSBr中铬$3\textit{d}$轨道的共振X射线光谱研究
Resonant X-ray spectroscopies on Chromium $3\textit{d}$ orbitals in CrSBr
AI总结：
本研究利用多种共振X射线光谱技术结合晶体电场多重态模型，探究层状磁性半导体CrSBr的Cr电子结构与激子起源，揭示了轨道杂化效应，为相关器件研究提供基础。
摘要：
我们采用多种共振X射线光谱技术相结合的方法，研究了层状磁性半导体CrSBr中Cr的电子结构与激发过程。在Cr $L_{2,3}$边采集的X射线吸收光谱（XAS）和共振非弹性X射线散射（RIXS）光谱显示出显著的线性二向色性，该效应源于Cr$^{3+}$离子周围扭曲的八面体配位环境。通过对比RIXS光谱中识别出的d-d激发、X射线激发光学发光（XEOL）光谱以及此前报道的光谱学与理论研究结果，我们探究了该化合物中观测到的亮激子的起源。为进一步理解这些现象，我们构建了基于晶体电场（CEF）方法的多重态模型，该模型考虑了Cr离子的局域环境。此模型成功复现了多项实验特征，同时也表明Cr $3\textit{d}$轨道与配体之间存在强杂化效应，而现有理论框架无法完全描述这一效应。这些发现深化了我们对CrSBr电子结构与激子行为的理解，也为未来针对自旋电子学和光电子应用的CrSBr基器件的原位（in-situ）与工况（operando）研究奠定了基础。
英文摘要：
We investigate the Cr electronic structure and excitations in CrSBr, a layered magnetic semiconductor, using a combination of resonant x-ray spectroscopic techniques. X-ray absorption spectroscopy (XAS) and resonant inelastic x-ray scattering (RIXS) spectra collected at the Cr $L_{2,3}$ edges reveal significant linear dichroism, which arises from the distorted octahedral environment surrounding the Cr$^{3+}$ ions. The origin of the bright excitons observed in this compound is examined through a comparison of the d-d excitations identified in the RIXS spectra, the x-ray excited optical luminescence (XEOL) spectra, and previously reported optical spectroscopic and theoretical studies. To further understand these phenomena, we develop a multiplet model based on a crystal electric field (CEF) approach that accounts for the local environment of Cr ions. This model successfully reproduces several experimental features, while also suggesting strong hybridization effects between Cr $3\textit{d}$ orbitals and ligands that are not fully captured by the present framework. These findings advance our understanding of the electronic structure and excitonic behavior in CrSBr and provide a foundation for future $\textit{in-situ}$ and $\textit{operando}$ studies of CrSBr-based devices for spintronic and optoelectronic applications.
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