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arXiv 2301.02677cond-mat.str-el
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拓扑半金属FeSi中的共振非弹性X射线散射

Resonant inelastic X-ray scattering in the topological semimetal FeSi

Yao Shen, Anirudh Chandrasekaran, Jennifer Sears, Tiantian Zhang, Xin Han, Youguo Shi, Jiemin Li, Jonathan Pelliciari, Valentina Bisogni, Mark P. M. Dean, Stefanos Kourtis

AI总结:

本研究首次利用动量依赖的RIXS结合DFT计算,解析了拓扑半金属FeSi的体态电子结构,发现宽激发连续谱与粒子-空穴散射一致,并揭示了DFT无法解释的低能过程。

摘要:

拓扑半金属的能谱在倒易空间中包含受保护的简并性,对应于Weyl、Dirac或多重费米子态。为了利用这些态的非常规性质,必须获取三维体态的电子结构。在本工作中,我们首次利用共振非弹性X射线散射(RIXS)对候选拓扑半金属的电子结构进行了理论与实验的联合研究。我们在Fe的L3边利用动量依赖的RIXS解析了FeSi的体态电子结构。我们观察到一个没有尖锐特征的宽激发连续谱,这与底层电子能带结构中的粒子-空穴散射一致。使用密度泛函理论(DFT),我们计算了FeSi的电子结构,并在快速碰撞近似下推导了RIXS的能带理论公式,以零可调参数对散射过程进行建模。尽管能带理论预测了与观测结果相似的具有宽光谱特征的激发连续谱,但理论与实验之间的差异表明存在DFT单独无法解释的低能过程。这项关于拓扑半金属RIXS的首次研究表明,RIXS是揭示此类材料体态电子态意外行为的有用工具。

英文摘要:

The energy spectrum of topological semimetals contains protected degeneracies in reciprocal space that correspond to Weyl, Dirac, or multifold fermionic states. To exploit the unconventional properties of these states, one has to access the electronic structure of the three-dimensional bulk. In this work, we present the first joint theory-experiment study of the electronic structure of a candidate topological semimetal with resonant inelastic X-ray scattering (RIXS). We resolve the bulk electronic states of FeSi using momentum-dependent RIXS at the Fe $L_3$ edge. We observe a broad excitation continuum devoid of sharp features, consistent with particle-hole scattering in an underlying electronic band structure. Using density functional theory (DFT), we calculate the electronic structure of FeSi and derive a band theory formulation of RIXS in the fast collision approximation to model the scattering process with zero adjustable parameters. While band theory predicts an excitation continuum with broad spectral features similar to the observed ones, discrepancies between theory and experiment suggest the presence of low-energy processes that DFT alone does not account for. This first study of RIXS in a topological semimetal shows that RIXS is a useful tool for revealing unanticipated behavior of bulk electronic states in this class of materials.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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