Sier Daniel, Dean Jonathan W, Tran Nicholas T T, Kirk Tony, Tran Chanh Q, Mosselmans J Frederick W, Diaz-Moreno Sofia, Chantler Christopher T
School of Physics, University of Melbourne, Melbourne, Victoria, Australia.
Department of Chemistry and Physics, La Trobe University, La Trobe, Victoria, Australia.
IUCrJ. 2024 Jul 1;11(Pt 4):620-633. doi: 10.1107/S2052252524005165.
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 S 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.
在此,扩展范围高能分辨率荧光检测(XR-HERFD)新技术已成功高精度观测到锰的n = 2卫星峰。所呈现的卫星峰特征的显著性达数百个标准误差,远超通常三到六个标准误差的发现水平。该卫星峰是凝聚态中所有含锰材料的灵敏指示器。已确定测量中的不确定性,其清晰观测到多个峰以及表明复杂物理量子力学过程的结构。还给出了能量本征值、振离概率和俄歇速率的理论计算,解释了卫星峰源自物理n = 2振离过程。相对于锰的完整Kα谱测量该卫星峰强度的演变,以研究卫星结构,进而研究多体过程与入射能量的函数关系。结果表明,多体约化因子S不应像目前这样用恒定值建模。这项工作对理解多体过程以及定量解释HERFD或共振非弹性X射线散射光谱的挑战做出了重大贡献。