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A unified analytical framework for Mössbauer synchrotron sources.

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Title: A unified analytical framework for Mössbauer synchrotron sources.
Authors: Szymański, Krzysztof R.1 (AUTHOR) k.szymanski@uwb.edu.pl
Source: Journal of Synchrotron Radiation. Jul2026, Vol. 33 Issue 4, p931-938. 8p.
Subjects: Mössbauer spectroscopy, Hyperfine interactions, Hyperfine coupling, Polarization (Electricity), Magnetic dipoles, Synchrotron radiation sources, Monte Carlo method
Abstract: Next‐generation Mössbauer spectroscopy at synchrotron and X‐ray free‐electron laser facilities demands rapid, accurate and polarization‐aware modeling of nuclear hyperfine interactions. We present a unified analytical framework that provides exact, rotationally invariant expressions for resonance energies and transition probabilities in the presence of simultaneous magnetic dipole and electric quadrupole interactions. Unlike conventional approaches, our method avoids Hamiltonian diagonalization by expressing intensities entirely in terms of hyperfine invariants, enabling efficient global fitting and modeling of hyperfine‐interaction distributions in complex materials. We further introduce a quantitative identifiability metric and demonstrate, via Monte Carlo sampling, that polarization control—particularly orthogonal linear polarizations—substantially improves hyperfine‐parameter determination. This work offers a mathematically transparent and computationally efficient toolset for modern Mössbauer spectroscopy, accelerating studies of iron‐based compounds and magnetic, electronic and structural order under extreme conditions and at nanoscale geometries. [ABSTRACT FROM AUTHOR]
Copyright of Journal of Synchrotron Radiation is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: A unified analytical framework for Mössbauer synchrotron sources.
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  Data: <searchLink fieldCode="AR" term="%22Szymański%2C+Krzysztof+R%2E%22">Szymański, Krzysztof R.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> k.szymanski@uwb.edu.pl</i>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Synchrotron+Radiation%22">Journal of Synchrotron Radiation</searchLink>. Jul2026, Vol. 33 Issue 4, p931-938. 8p.
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  Data: <searchLink fieldCode="DE" term="%22Mössbauer+spectroscopy%22">Mössbauer spectroscopy</searchLink><br /><searchLink fieldCode="DE" term="%22Hyperfine+interactions%22">Hyperfine interactions</searchLink><br /><searchLink fieldCode="DE" term="%22Hyperfine+coupling%22">Hyperfine coupling</searchLink><br /><searchLink fieldCode="DE" term="%22Polarization+%28Electricity%29%22">Polarization (Electricity)</searchLink><br /><searchLink fieldCode="DE" term="%22Magnetic+dipoles%22">Magnetic dipoles</searchLink><br /><searchLink fieldCode="DE" term="%22Synchrotron+radiation+sources%22">Synchrotron radiation sources</searchLink><br /><searchLink fieldCode="DE" term="%22Monte+Carlo+method%22">Monte Carlo method</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: Next‐generation Mössbauer spectroscopy at synchrotron and X‐ray free‐electron laser facilities demands rapid, accurate and polarization‐aware modeling of nuclear hyperfine interactions. We present a unified analytical framework that provides exact, rotationally invariant expressions for resonance energies and transition probabilities in the presence of simultaneous magnetic dipole and electric quadrupole interactions. Unlike conventional approaches, our method avoids Hamiltonian diagonalization by expressing intensities entirely in terms of hyperfine invariants, enabling efficient global fitting and modeling of hyperfine‐interaction distributions in complex materials. We further introduce a quantitative identifiability metric and demonstrate, via Monte Carlo sampling, that polarization control—particularly orthogonal linear polarizations—substantially improves hyperfine‐parameter determination. This work offers a mathematically transparent and computationally efficient toolset for modern Mössbauer spectroscopy, accelerating studies of iron‐based compounds and magnetic, electronic and structural order under extreme conditions and at nanoscale geometries. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Journal of Synchrotron Radiation is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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    Identifiers:
      – Type: doi
        Value: 10.1107/S1600577526005357
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      – Code: eng
        Text: English
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      Pagination:
        PageCount: 8
        StartPage: 931
    Subjects:
      – SubjectFull: Mössbauer spectroscopy
        Type: general
      – SubjectFull: Hyperfine interactions
        Type: general
      – SubjectFull: Hyperfine coupling
        Type: general
      – SubjectFull: Polarization (Electricity)
        Type: general
      – SubjectFull: Magnetic dipoles
        Type: general
      – SubjectFull: Synchrotron radiation sources
        Type: general
      – SubjectFull: Monte Carlo method
        Type: general
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      – TitleFull: A unified analytical framework for Mössbauer synchrotron sources.
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            NameFull: Szymański, Krzysztof R.
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          Dates:
            – D: 01
              M: 07
              Text: Jul2026
              Type: published
              Y: 2026
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              Value: 33
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            – TitleFull: Journal of Synchrotron Radiation
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