Abstract
We report a comprehensive investigation of (, Pr, Nd) using thermodynamic and transport properties, neutron powder diffraction, resonant inelastic x-ray scattering, and density-functional theory (DFT) calculations to investigate the role of A-site cations on the magnetic interactions in this family of hybrid compositions. Magnetic structure determination using neutron diffraction reveals antiferromagnetism for , a collinear ferrimagnetic Ni and Ir state that is driven to long-range antiferromagnetism upon the onset of Nd ordering in , and a noncollinear ferrimagnetic Ni and Ir sublattice interpenetrated by a ferromagnetic Pr lattice for . For , heat-capacity results reveal the presence of two independent magnetic sublattices, and transport resistivity indicates insulating behavior and a conduction pathway that is thermally mediated. A first principles DFT calculation elucidates the existence of the two independent magnetic sublattices within and offers insight into the behavior in and . Resonant inelastic x-ray scattering is consistent with spin-orbit coupling splitting the manifold of octahedral into a and state for all members of the series considered.
1 More- Received 10 December 2020
- Revised 12 May 2021
- Accepted 1 June 2021
DOI:https://doi.org/10.1103/PhysRevMaterials.5.064408
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