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Spinteract: a program to refine magnetic interactions to diffuse scattering data.

Joseph A M Paddison1,2

  • 1Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, United States of America.

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|August 21, 2023
PubMed
Summary
This summary is machine-generated.

A new open-source program, Spinteract, allows researchers to analyze magnetic diffuse scattering data to better understand magnetic interactions in materials. This tool facilitates the refinement of magnetic interaction parameters from neutron-diffraction data.

Keywords:
diffuse scatteringmagnetic interactionsmagnetismneutron scattering

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Area of Science:

  • Condensed matter physics
  • Materials science
  • Computational physics

Background:

  • Magnetic diffuse scattering provides valuable insights into a material's magnetic Hamiltonian.
  • Underutilization of this data is often due to a lack of suitable computational tools for parameter refinement.

Purpose of the Study:

  • To present Spinteract, an open-source software for refining magnetic interaction parameters from magnetic diffuse scattering data.
  • To enable straightforward analysis of both powder and single-crystal neutron-diffraction data.

Main Methods:

  • Development and implementation of the Spinteract computer program.
  • Application of the software to analyze experimental magnetic diffuse scattering data.

Main Results:

  • Demonstrated successful refinement of magnetic interaction parameters for MnO (antiferromagnet) and Gd3Ga5O12 (spin liquid).
  • Provided a user-friendly approach to extract detailed magnetic Hamiltonian information.

Conclusions:

  • Spinteract significantly enhances the utility of magnetic diffuse scattering data.
  • The software offers a pathway for deeper understanding of magnetic phenomena in diverse materials.