Abstract

Resonant inelastic X-ray scattering (RIXS) has become an important scientific tool. Nonetheless, conventional high-resolution (few hundred meV or less) RIXS measurements, especially in the soft X-ray range, require low-throughput grating spectrometers, which limits measurement accuracy. Here, the performance of a different method for measuring RIXS, i.e. photoelectron spectrometry for analysis of X-rays (PAX), is computationally investigated. This method transforms the X-ray measurement problem of RIXS to an electron measurement problem, enabling use of high-throughput, compact electron spectrometers. X-rays to be measured are incident on a converter material and the energy distribution of the resultant photoelectrons, the PAX spectrum, is measured with an electron spectrometer. A deconvolution algorithm for analysis of such PAX data is proposed. It is shown that the deconvolution algorithm works well on data recorded with ∼0.5 eV resolution. Additional simulations show the potential of PAX for estimation of RIXS features with smaller widths. For simulations using the 3d levels of Ag as a converter material, and with 105 simulated detected electrons, it is estimated that features with a few hundred meV width can be accurately estimated in a model RIXS spectrum. For simulations using a sharp Fermi edge to encode RIXS spectra, it is estimated that one can accurately distinguish 100 meV FWHM peaks separated by 45 meV with 105 simulated detected electrons that were photoemitted from within 0.4 eV of the Fermi level.

Highlights

  • Resonant inelastic X-ray scattering (RIXS) has emerged as a powerful technique to study elementary excitations (Ament et al, 2011)

  • We assume that we have a set of photoelectron spectrometry for analysis of X-rays (PAX) spectra recorded under statistically identical conditions as well as a high-accuracy measurement of the photoemission spectrum of the converter material recorded with monochromatic incident X-ray radiation

  • Performance of PAX that we have described an algorithm for estimating RIXS spectra from PAX data, we evaluate the performance of this algorithm on the experimental data of Dakovski et al (2017) and higher-resolution simulated data

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Summary

Introduction

Resonant inelastic X-ray scattering (RIXS) has emerged as a powerful technique to study elementary excitations (Ament et al, 2011). The algorithm proposed by Dakovski et al (2017) works when spectral line shapes and their photon energy distribution are priorly known in order to estimate the spectra as a sum of Gaussian functions Without this information, spectral features will be poorly deconvoluted. We find that, in simulations under reasonable experimental conditions using the Ag 3d levels as a photoemission converter, PAX can accurately estimate the width of few hundred meV features when 105 electrons are simulated to be detected in the measured PAX spectrum.

Choice of converter material
An algorithm for deconvolving PAX spectra
Model of PAX spectra
Regularized maximum-likelihood estimation for estimating RIXS with PAX
Estimating the optimal regularization strength
Stopping criterion
Findings
Conclusions and outlook
Full Text
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