High-accuracy measurement, advanced theory and analysis of the evolution of satellite transitions in manganese K α using XR-HERFD

DOI: 10.1107/S2052252524005165

Authors: Daniel Sier (University of Melbourne) , Jonathan W. Dean (University of Melbourne) , Nicholas T. T. Tran (University of Melbourne) , Tony Kirk (La Trobe University) , Chanh Q. Tran (La Trobe University) , J. Frederick W. Mosselmans (Diamond Light Source) , Sofia Diaz-Moreno (Diamond Light Source) , Christopher T. Chantler (University of Melbourne)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Iucrj , VOL 11

State: Published (Approved)
Published: July 2024
Diamond Proposal Number(s): 28859 , 30113

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.

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

Subject Areas: Technique Development, Chemistry, Physics


Instruments: I20-Scanning-X-ray spectroscopy (XAS/XES)

Added On: 24/06/2024 09:51

Documents:
oz5006.pdf

Discipline Tags:

Physics Physical Chemistry Technique Development - Chemistry Technique Development - Physics Chemistry

Technical Tags:

Spectroscopy X-ray Absorption Spectroscopy (XAS) High Energy Resolution Fluorescence Detected XAS (HERFD-XAS)