Mag2Pol: a program for the analysis of spherical neutron polarimetry, flipping ratio and integrated intensity data

Abstract

Mag2Pol is a graphical user interface program which is devoted to the treatment of data from polarized neutron diffractometers with spherical polarization analysis. Nuclear and magnetic structure models can be introduced using spacegroup 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 with 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. computer programs 176 Navid Qureshi Mag2Pol J. Appl. Cryst. (2019). 52, 175-185 Figure 1Mag2Pol's graphical user interface after setting up a magnetic structure model. computer programs J. Appl. Cryst. (2019). 52, 175-185 Navid Qureshi Mag2Pol 177 Figure 2Upper row: Multipole window allowing the user to the set the coefficients of the multipole expansion of the magnetization density. Upper left: Visualization of the individual orbitals. Upper right: Weighted sum of the individual orbitals. Bottom: Multipole expansion of the magnetization density for each magnetic ion in the crystallographic unit cell with symmetrical constraints given by the space group.

Magnetic structures, spin-flop transition, and coupling of Eu and Mn magnetism in the Dirac semimetal EuMnBi2

“…12(e), and the variance becomes significantly better for equivalent reflections after proper correction. In addition, we noticed that there is new and much more efficient software, Mag2pol [76], made by Qureshi, which can also do the neutron absorption correction, and gives similar correction results as our method, shown in Fig. 12(e).…”

Switching of the Chiral Magnetic Domains in the Hybrid Molecular/Inorganic Multiferroic (ND4)2[FeCl5(D2O)]

“…We used the Mag2Pol program 37 for analyzing and fitting the spherical neutron polarimetry data jointly with unpolarized neutron diffraction intensities. The calculated polarization matrix components were corrected for the imperfect incident neutron beam polarization and the efficiency of the neutron spin-filter in the scattered beam.…”

Absolute crystal and magnetic chiralities in the langasite compound Ba3NbFe3Si2O14 determined by polarized neutron and x-ray scattering

“…Neutron polarimetry is not sensitive to the size of the magnetic moments when nuclear-magnetic interference is absent, for which we have fixed the imaginary part, i.e., the only refined parameter was the real part of the Fourier component. The refinement has been carried out using the MAG2POL program [21]. All FIG.…”