Iterative energy self-calibration of Fe XANES spectra Jones Michael W. M.

Michael W.M. Jones; Guilherme Mallmann; Jeremy L. Wykes; Joseph Knafelc; Scott E. Bryan; Daryl L. Howard

doi:10.1107/S1600577519014267

Iterative energy self-calibration of Fe XANES spectra Jones Michael W. M.

Michael W.M. Jones^*, Guilherme Mallmann, Jeremy L. Wykes, Joseph Knafelc, Scott E. Bryan, Daryl L. Howard

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

3 Citations (Scopus)

Abstract

Determining the oxidation state of Fe through parameterization of X-ray absorption near-edge structure (XANES) spectral features is highly dependent on accurate and repeatable energy calibration between spectra. Small errors in energy calibration can lead to vastly different interpretations. While simultaneous measurement of a reference foil is often undertaken on X-ray spectroscopy beamlines, other beamlines measure XANES spectra without a reference foil and therefore lack a method for correcting energy drift. Here a method is proposed that combines two measures of Fe oxidation state taken from different parts of the spectrum to iteratively correct for an unknown energy offset between spectra, showing successful iterative self-calibration not only during individual beam time but also across different beamlines.

Original language	English
Pages (from-to)	207-211
Number of pages	5
Journal	Journal of Synchrotron Radiation
Volume	27
DOIs	https://doi.org/10.1107/S1600577519014267
Publication status	Published - 1 Jan 2020

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title = "Iterative energy self-calibration of Fe XANES spectra Jones Michael W. M.",

abstract = "Determining the oxidation state of Fe through parameterization of X-ray absorption near-edge structure (XANES) spectral features is highly dependent on accurate and repeatable energy calibration between spectra. Small errors in energy calibration can lead to vastly different interpretations. While simultaneous measurement of a reference foil is often undertaken on X-ray spectroscopy beamlines, other beamlines measure XANES spectra without a reference foil and therefore lack a method for correcting energy drift. Here a method is proposed that combines two measures of Fe oxidation state taken from different parts of the spectrum to iteratively correct for an unknown energy offset between spectra, showing successful iterative self-calibration not only during individual beam time but also across different beamlines.",

keywords = "Fe XANES, Havre pumice Australian Research Council DE160100169 Guilherme Mallmann Australian Institute of Nuclear Science and Engineering, RGM-2, energy calibration, mid-ocean ridge basalt (MORB), rhyolite",

author = "Jones, {Michael W.M.} and Guilherme Mallmann and Wykes, {Jeremy L.} and Joseph Knafelc and Bryan, {Scott E.} and Howard, {Daryl L.}",

note = "Publisher Copyright: {\textcopyright} 2020 International Union of Crystallography.",

year = "2020",

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doi = "10.1107/S1600577519014267",

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AU - Jones, Michael W.M.

AU - Mallmann, Guilherme

AU - Wykes, Jeremy L.

AU - Knafelc, Joseph

AU - Bryan, Scott E.

AU - Howard, Daryl L.

PY - 2020/1/1

Y1 - 2020/1/1

N2 - Determining the oxidation state of Fe through parameterization of X-ray absorption near-edge structure (XANES) spectral features is highly dependent on accurate and repeatable energy calibration between spectra. Small errors in energy calibration can lead to vastly different interpretations. While simultaneous measurement of a reference foil is often undertaken on X-ray spectroscopy beamlines, other beamlines measure XANES spectra without a reference foil and therefore lack a method for correcting energy drift. Here a method is proposed that combines two measures of Fe oxidation state taken from different parts of the spectrum to iteratively correct for an unknown energy offset between spectra, showing successful iterative self-calibration not only during individual beam time but also across different beamlines.

AB - Determining the oxidation state of Fe through parameterization of X-ray absorption near-edge structure (XANES) spectral features is highly dependent on accurate and repeatable energy calibration between spectra. Small errors in energy calibration can lead to vastly different interpretations. While simultaneous measurement of a reference foil is often undertaken on X-ray spectroscopy beamlines, other beamlines measure XANES spectra without a reference foil and therefore lack a method for correcting energy drift. Here a method is proposed that combines two measures of Fe oxidation state taken from different parts of the spectrum to iteratively correct for an unknown energy offset between spectra, showing successful iterative self-calibration not only during individual beam time but also across different beamlines.

KW - Fe XANES

KW - Havre pumice Australian Research Council DE160100169 Guilherme Mallmann Australian Institute of Nuclear Science and Engineering

KW - RGM-2

KW - energy calibration

KW - mid-ocean ridge basalt (MORB)

KW - rhyolite

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U2 - 10.1107/S1600577519014267

DO - 10.1107/S1600577519014267

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SN - 0909-0495

VL - 27

SP - 207

EP - 211

JO - Journal of Synchrotron Radiation

JF - Journal of Synchrotron Radiation

ER -

Iterative energy self-calibration of Fe XANES spectra Jones Michael W. M.

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