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EXAFS analysis using FEFF and FEFFIT.

M Newville1

  • 1Consortium for Advanced Radiation Sources, The University of Chicago, IL 60637, USA. newville@cars.uchicago.edu

Journal of Synchrotron Radiation
|August 22, 2001
PubMed
Summary
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This study details advanced Extended X-ray Absorption Fine Structure (EXAFS) analysis using FEFF and FEFFIT software. These tools offer flexible parameterization and modeling of EXAFS data with generalized physical variables.

Area of Science:

  • Materials Science
  • Solid-State Physics
  • Spectroscopy

Background:

  • Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy is a powerful technique for probing local atomic environments.
  • Accurate analysis of EXAFS data is crucial for extracting meaningful structural information.
  • Existing analysis methods may have limitations in flexibility and robustness.

Purpose of the Study:

  • To describe advanced analysis features of the FEFF and FEFFIT software packages.
  • To demonstrate a flexible and robust parameterization approach for EXAFS data.
  • To showcase the modeling of EXAFS data using generalized physical variables.

Main Methods:

  • Utilizing the scattering path formalism from FEFF as a fundamental building block.
  • Employing cumulant expansion for EXAFS data parameterization.

Related Experiment Videos

  • Applying generalized physical variables for data modeling.
  • Simultaneous refinement of multiple data polarizations.

    • Main Results:

    • FEFF and FEFFIT provide advanced capabilities for EXAFS analysis.
    • The combination of scattering path formalism and cumulant expansion offers robust parameterization.
    • Successful modeling of EXAFS data using generalized physical variables was achieved.
    • Demonstrated simultaneous refinement of two polarizations for Co K EXAFS data of CoPt3.

    Conclusions:

    • FEFF and FEFFIT are powerful tools for advanced EXAFS analysis.
    • The described methods provide a flexible and robust framework for interpreting EXAFS data.
    • The ability to model complex EXAFS scenarios, like polarized data, is significantly enhanced.