2022/10/17 by Joseph A. M. Paddison, Paddison, Joseph A. M. · 1 citation
Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Crystal Structures and Properties #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Strongly Correlated Electrons (cond-mat.str-el) #Theoretical and Computational Physics
paper · pdf · doi:10.48550/arxiv.2210.09016
openalex publication_date 2022/10/17 · openalex created_date 2022/10/20 · openalex updated_date 2026/07/28
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.