Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf
1 PublicationMagnetic pyroxenes LiCrGe2O6 and LiCrSi2O6: Dimensionality crossover in a nonfrustrated S = 3/2 Heisenberg model
Janson, O.; Nénert, G.; Isobe, M.; Skourski, Y.; Ueda, Y.; Rosner, H.; Tsirlin, A. A.
Abstract
The magnetism of magnetoelectric S = 3/2 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.
Involved research facilities
- High Magnetic Field Laboratory (HLD)
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Physical Review B 90(2014), 214424
DOI: 10.1103/PhysRevB.90.214424
ISSN: 1098-0121
Cited 18 times in Scopus
Permalink: https://www.hzdr.de/publications/Publ-21415
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