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MoP3SiO11: A 4d3 honeycomb antiferromagnet with disconnected octahedra

Danis I. Badrtdinov, Lei Ding, Clemens Ritter, Jan Hembacher, Niyaz Ahmed, Yurii Skourski, and Alexander A. Tsirlin
Phys. Rev. B 104, 094428 – Published 22 September 2021
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Abstract

We report the crystal structure and magnetic behavior of the 4d3 spin-3/2 silicophosphate MoP3SiO11 studied by high-resolution synchrotron x-ray diffraction, neutron diffraction, thermodynamic measurements, and ab initio band-structure calculations. Our data revise the crystallographic symmetry of this compound and establish its rhombohedral space group (R3¯c) along with the geometrically perfect honeycomb lattice of the Mo3+ ions residing in disconnected MoO6 octahedra. Long-range antiferromagnetic order with the propagation vector k=0 observed below TN=6.8 K is a combined effect of the nearest-neighbor in-plane exchange coupling J2.6 K, easy-plane single-ion anisotropy D2.2 K, and a weak interlayer coupling Jc0.8 K. The 12% reduction in the ordered magnetic moment of the Mo3+ ions and the magnon gap of Δ7 K induced by the single-ion anisotropy further illustrate the impact of spin-orbit coupling on the magnetism. Our analysis puts forward single-ion anisotropy as an important ingredient of 4d3 honeycomb antiferromagnets despite their nominally quenched orbital moment.

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  • Received 18 July 2021
  • Accepted 8 September 2021

DOI:https://doi.org/10.1103/PhysRevB.104.094428

©2021 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Danis I. Badrtdinov1, Lei Ding2,3, Clemens Ritter4, Jan Hembacher5, Niyaz Ahmed5,6, Yurii Skourski7, and Alexander A. Tsirlin5,1,*

  • 1Theoretical Physics and Applied Mathematics Department, Ural Federal University, 620002 Yekaterinburg, Russia
  • 2ISIS Facility, Rutherford Appleton Laboratory, Harwell Oxford, Didcot, United Kingdom
  • 3Institut Néel, CNRS and Université Joseph Fourier, 38042 Grenoble, France
  • 4Institut Laue-Langevin, BP 156, F-38042 Grenoble, France
  • 5Experimental Physics VI, Center for Electronic Correlations and Magnetism, Institute of Physics, University of Augsburg, 86135 Augsburg, Germany
  • 6School of Physics, Indian Institute of Science Education and Research, Thiruvananthapuram-695551, India
  • 7Dresden High Magnetic Field Laboratory (HLD-EMFL), Helmholtz-Zentrum Dresden-Rossendorf, 01328 Dresden, Germany

  • *altsirlin@gmail.com

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Issue

Vol. 104, Iss. 9 — 1 September 2021

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