关键词: Kα spectra X-ray absorption fine structure X-ray emission spectroscopy computational modelling extended-range high-energy-resolution fluorescence detection inelastic X-ray scattering manganese many-body processes satellites

来  源:   DOI:10.1107/S2052252524005165   PDF(Pubmed)

Abstract:
Here, the novel technique of extended-range high-energy-resolution fluorescence detection (XR-HERFD) has successfully observed the n = 2 satellite in manganese to a high accuracy. The significance of the satellite signature presented is many hundreds of standard errors and well beyond typical discovery levels of three to six standard errors. This satellite is a sensitive indicator for all manganese-containing materials in condensed matter. The uncertainty in the measurements has been defined, which clearly observes multiple peaks and structure indicative of complex physical quantum-mechanical processes. Theoretical calculations of energy eigenvalues, shake-off probability and Auger rates are also presented, which explain the origin of the satellite from physical n = 2 shake-off processes. The evolution in the intensity of this satellite is measured relative to the full Kα spectrum of manganese to investigate satellite structure, and therefore many-body processes, as a function of incident energy. Results demonstrate that the many-body reduction factor S02 should not be modelled with a constant value as is currently done. This work makes a significant contribution to the challenge of understanding many-body processes and interpreting HERFD or resonant inelastic X-ray scattering spectra in a quantitative manner.
摘要:
这里,扩展范围高能量分辨率荧光检测(XR-HERFD)的新技术已成功地高精度观察了锰中n=2的卫星。所提出的卫星签名的重要性是数百个标准误差,并且远远超出了三到六个标准误差的典型发现水平。该卫星是凝聚态中所有含锰材料的敏感指标。测量的不确定度已经定义,它清楚地观察到多个峰和结构,表明复杂的物理量子力学过程。能量特征值的理论计算,还给出了抖落概率和螺旋率,这解释了卫星的起源来自物理n=2个抖动过程。相对于锰的完整Kα光谱测量该卫星的强度演变,以研究卫星结构,因此,多体过程,作为入射能量的函数。结果表明,多体还原因子S02不应像目前所做的那样用恒定值建模。这项工作对理解多体过程和以定量方式解释HERFD或共振非弹性X射线散射光谱的挑战做出了重大贡献。
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