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Synthesis, crystal and magnetic structure of the spin-chain compound Ag2RuO4

Beluvalli E. Prasad, Surasree Sadhukhan, Thomas C. Hansen, Claudia Felser, Sudipta Kanungo, and Martin Jansen
Phys. Rev. Materials 4, 024418 – Published 28 February 2020
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Abstract

We report synthesis and crystal structure refinement of Ag2RuO4, followed by combined analysis of its physical properties through bulk experimental tools (magnetic susceptibility, electron transport, and heat capacity measurements), a microscopic experimental tool (temperature dependent neutron diffraction), and ab initio first-principles calculations. We observe a rather unique (RuO3/1O2/2)n polyoxoanion, where Ru is in a distorted trigonal bipyramidal coordination by oxygen. The RuO5 polyhedra are linked via the apical oxygen atoms to form chains extending along the crystallographic a axis. Crystal structure, magnetization, and ab initio calculations indicate that Ru is in the +6 oxidation state with a nominal valence electron configuration of 4d2. Bulk magnetization, specific-heat, and neutron-diffraction measurements provide clear indication of an antiferromagnetic transition around 75 K with moderate spin canting in the order of 30 with respect to the c axis. The neutron-diffraction results as well as the density functional theory based first-principles calculations of exchange interactions revealed that the strong intrachain interaction is predominantly of ferromagnetic (FM) type, and that this spin order along the chains couples with the neighboring chains through comparatively weak FM and antiferromagnetic interactions. Notably, the Landé g factor is found to be 1.8 (with an infinite chain model and even a simple Curie-Weiss approach), away from the ideal value of 2, due to the low dimensionality of the Ru/O substructure.

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  • Received 11 October 2019
  • Accepted 2 January 2020

DOI:https://doi.org/10.1103/PhysRevMaterials.4.024418

Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI. Open access publication funded by the Max Planck Society.

Published by the American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Beluvalli E. Prasad1, Surasree Sadhukhan2, Thomas C. Hansen3, Claudia Felser1, Sudipta Kanungo2, and Martin Jansen1,4,*

  • 1Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Strasse 40, 01187 Dresden, Germany
  • 2School of Physical Sciences, Indian Institute of Technology Goa, 403401 Goa, India
  • 3Institut Max von Laue-Paul Langevin, 71 Avenue des Martyrs, 38000 Grenoble, France
  • 4Max-Planck-Institut für Festkörperforschung, Heisenbergstrasse 1, 70569 Stuttgart, Germany

  • *Corresponding author: m.jansen@fkf.mpg.de

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Vol. 4, Iss. 2 — February 2020

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