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arXiv · 2210.09016

Spinteract: A Program to Refine Magnetic Interactions to Diffuse Scattering Data

Joseph A. M. Paddison
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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. 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 Gd3Ga5O12. Guidelines for data collection and refinement are outlined, and possible developments of the approach are discussed.

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Joseph A. M. Paddison. 2022-10-17. Spinteract: A Program to Refine Magnetic Interactions to Diffuse Scattering Data. https://arxiv.org/abs/2210.09016

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