2018/01/25 by N. Qureshi, Qureshi, N. · 5 citations
Chemistry · Materials Science · Physics and Astronomy · #FOS: Physical sciences #Inorganic Fluorides and Related Compounds #Nuclear Physics and Applications #Strongly Correlated Electrons (cond-mat.str-el) #X-ray Diffraction in Crystallography #cond-mat.str-el
paper · pdf · doi:10.48550/arxiv.1801.08431
openalex publication_date 2018/01/25 · arxiv created 2018/10/30 · arxiv updated 2018/10/31 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Mag2Pol is a graphical user interface program which is devoted to the analysis of data from polarized neutron diffractometers with spherical polarization analysis. Nuclear and magnetic structure models can be introduced using space group symbols and individual symmetry operators, respectively, and viewed in an OpenGL widget. The program calculates nuclear/magnetic structure factors, flipping ratios and polarization matrices for magnetic Bragg reflections taking into account structural twins and magnetic domains. Spherical neutron polarimetry data can be analyzed by refining a magnetic structure model including magnetic domain populations in a least-squares fit and can also be correlated to an integrated intensity data set in a joint refinement. Further features are the simultaneous refinement of nuclear and magnetic structures with integrated intensity data and the analysis of flipping ratios either with tabulated magnetic form factors or using a multipole expansion of the magnetization density.