Relationship between A-site cation and magnetic structure in 3d5d4f double perovskite iridates Ln2NiIrO6 (Ln=La, Pr, Nd)

T. Ferreira, S. Calder, D. S. Parker, M. H. Upton, A. S. Sefat, and H.-C. zur Loye
Phys. Rev. Materials 5, 064408 – Published 16 June 2021
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Abstract

We report a comprehensive investigation of Ln2NiIrO6 (Ln=La, 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 3d5d4f compositions. Magnetic structure determination using neutron diffraction reveals antiferromagnetism for La2NiIrO6, a collinear ferrimagnetic Ni and Ir state that is driven to long-range antiferromagnetism upon the onset of Nd ordering in Nd2NiIrO6, and a noncollinear ferrimagnetic Ni and Ir sublattice interpenetrated by a ferromagnetic Pr lattice for Pr2NiIrO6. For Pr2NiIrO6, 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 Pr2NiIrO6 and offers insight into the behavior in La2NiIrO6 and Nd2NiIrO6. Resonant inelastic x-ray scattering is consistent with spin-orbit coupling splitting the t2g manifold of octahedral Ir4+ into a Jeff=12 and Jeff=32 state for all members of the series considered.

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  • Received 10 December 2020
  • Revised 12 May 2021
  • Accepted 1 June 2021

DOI:https://doi.org/10.1103/PhysRevMaterials.5.064408

©2021 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

T. Ferreira1,2, S. Calder3,*, D. S. Parker1, M. H. Upton4, A. S. Sefat1, and H.-C. zur Loye2,†

  • 1Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA
  • 2Department of Chemistry and Biochemistry, University of South Carolina, Columbia, South Carolina 29208, USA
  • 3Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA
  • 4Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439, USA

  • *caldersa@ornl.gov
  • zurloye@mailbox.sc.edu

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Issue

Vol. 5, Iss. 6 — June 2021

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