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DOE OSTI · 2000404

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

Paddison, Joseph A. M.
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Abstract

Magnetic diffuse scattering—the broad magnetic scattering features observed in neutron-diffraction data above a material's magnetic ordering temperature—provides a rich source of information about the material's magnetic Hamiltonian. However, this information has often remained under-utilised due to a lack of available computer software that can fit values of magnetic interaction parameters to such data. Here, an open-source computer program, Spinteract, is presented, which enables straightforward refinement of magnetic interaction parameters to powder and single-crystal magnetic diffuse scattering data. Here, the theory and implementation of this approach are summarised. Examples are presented of refinements to published experimental diffuse-scattering data sets for the canonical antiferromagnet MnO and the highly-frustrated classical spin liquid Gd 3 Ga 5 O 12 . Guidelines for data collection and refinement are outlined, and possible developments of the approach are discussed.

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BibTeXRIS

Paddison, Joseph A. M.. 2023-09-12. Spinteract: a program to refine magnetic interactions to diffuse scattering data. https://doi.org/10.1088/1361-648x%2Facf261

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