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Diffraction by multipoles in a 5d2 rhenium double perovskite

DOI: 10.1103/PhysRevB.103.104429 DOI Help

Authors: S. W. Lovesey (Diamond Light Source) , D. D. Khalyavin (ISIS Facility) , G. Van Der Laan (Diamond Light Source) , G. J. Nilsen (ISIS Facility)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Physical Review B , VOL 103 , PAGES 104429

State: Published (Approved)
Published: March 2021

Abstract: A recent polarized neutron diffraction experiment on the 5d2 rhenium double perovskite Ba2YReO6 held at a low temperature uncovered weak magnetic diffraction peaks. Data analysis inferred a significantly reduced Re dipole moment, and long-range order compatible with an antiferromagnetic, noncollinear motif. To interpret the experimental findings, we present a model wave function for Re ions derived from the crystal field potential, Coulomb interaction, and spin-orbit coupling that fully respects the symmetry of the low temperature ordered state. It is used to calculate in analytic form all multipole moments visible in neutron and resonance enhanced x-ray diffraction. A minimal model consistent with available neutron diffraction data predicts significant multipolar moments up to the hexadecapole and, in particular, a dominant charge like quadrupole moment. Calculated diffraction patterns embrace single crystal x-ray diffraction at the Re L edge, and renewed neutron diffraction, to probe the presumed underlying multipolar order.

Journal Keywords: Diffraction; spin ice; perovskites

Subject Areas: Physics, Materials, Mathematics

Technical Areas: Theoretical Physics

Discipline Tags:

Material Sciences Metallurgy Perovskites Physics Magnetism

Technical Tags: