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Electronic and magnetic properties of multiferroic ScFeO3 available from diffraction experiments

DOI: 10.1088/1361-648X/aa860f DOI Help

Authors: Stephen W. Lovesey (Diamond Light Source; ISIS Facility) , Dmitry D. Khalyavin (ISIS Facility)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Journal Of Physics: Condensed Matter

State: Published (Approved)
Published: August 2017

Open Access Open Access

Abstract: Electronic and magnetic properties of ferric ions (3d5) in multiferroic ScFeO3 are puzzling, in part because they are different from the only other multiferroic known to possess the same polar chemical structure, BiFeO3. Open questions about ScFeO3 can be addressed by confronting observations with results for G-type antiferromagnetism allowed by the lithium niobate (LiNbO3)-like parent R3c structure. Calculated structure factors for resonant x-ray diffraction include all charge-like quadrupoles allowed by symmetry, and if experimental results for ScFeO3 subsequently imply they are different from zero then ferric ions cannot be in the high-spin 6S state. The same type of experiment can reveal the moment direction in the G-type antiferromagnetism, according to our calculations, and thereby contribute to understanding magnetic anisotropy. Furthermore, structure factors for magnetic neutron diffraction by ScFeO3 include Dirac multipoles that are time-odd and parity-odd, e.g., dipoles that are often called anapoles or toroidal moments. Apart from Dirac multipoles, the conventional approach to the interpretation of neutron Bragg diffraction data will be inadequate if ferric ions (Fe3) are not in the high-spin 6S state, because the scattering amplitude includes more than simple dipole moments in the general case.

Subject Areas: Physics


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