Magnetic pyroxenes LiCrGe2O6 and LiCrSi2O6: Dimensionality crossover in a nonfrustrated S=32 Heisenberg model

O. Janson, G. Nénert, M. Isobe, Y. Skourski, Y. Ueda, H. Rosner, and A. A. Tsirlin
Phys. Rev. B 90, 214424 – Published 15 December 2014
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Abstract

The magnetism of magnetoelectric S=32 pyroxenes LiCrSi2O6 and LiCrGe2O6 is studied by density functional theory calculations, quantum Monte Carlo (QMC) simulations, neutron diffraction, as well as low- and high-field magnetization measurements. In contrast with earlier papers, we find that the two compounds feature remarkably different, albeit nonfrustrated magnetic models. In LiCrSi2O6, two relevant exchange integrals, J1 9 K along the structural chains and Jic1 2 K between the chains, form a two-dimensional anisotropic honeycomb lattice. In contrast, the spin model of LiCrGe2O6 is constituted of three different exchange couplings. Surprisingly, the leading exchange Jic1 2.3 K operates between the chains, while J1 1.2 K is about two times smaller. The additional interlayer coupling Jic2  J1 renders this model three dimensional. QMC simulations reveal excellent agreement between our magnetic models and the available experimental data. Underlying mechanisms of the exchange couplings, magnetostructural correlations, as well as implications for other pyroxene systems are discussed.

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  • Received 6 February 2014
  • Revised 22 October 2014

DOI:https://doi.org/10.1103/PhysRevB.90.214424

©2014 American Physical Society

Authors & Affiliations

O. Janson1,2,*, G. Nénert3, M. Isobe4, Y. Skourski5, Y. Ueda4, H. Rosner2, and A. A. Tsirlin1,2,*

  • 1National Institute of Chemical Physics and Biophysics, 12618 Tallinn, Estonia
  • 2Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Str. 40, 01187 Dresden, Germany
  • 3Institut Laue-Langevin, Grenoble 38042, France
  • 4Institute for Solid State Physics, University of Tokyo, 5-1-5 Kashiwa, Chiba 277-8581, Japan
  • 5Hochfeld-Magnetlabor Dresden, Helmholtz-Zentrum Dresden-Rossendorf, D-01314 Dresden, Germany

  • *janson@cpfs.mpg.de; altsirlin@gmail.com

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Issue

Vol. 90, Iss. 21 — 1 December 2014

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