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  Magnetic pyroxenes LiCrGe2O6 and LiCrSi2O6: Dimensionality crossover in a nonfrustrated S=3/2 Heisenberg model

Janson, O., Nenert, G., Isobe, M., Skourski, Y., Ueda, Y., Rosner, H., et al. (2014). Magnetic pyroxenes LiCrGe2O6 and LiCrSi2O6: Dimensionality crossover in a nonfrustrated S=3/2 Heisenberg model. Physical Review B, 90(21): 214424, pp. 1-11. doi:10.1103/PhysRevB.90.214424.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0024-94AC-2 Version Permalink: http://hdl.handle.net/21.11116/0000-0000-FF10-F
Genre: Journal Article

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 Creators:
Janson, O.1, Author              
Nenert, G.2, Author
Isobe, M.2, Author
Skourski, Y.2, Author
Ueda, Y.2, Author
Rosner, H.3, Author              
Tsirlin, A. A.4, Author              
Affiliations:
1Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863445              
2External Organizations, ou_persistent22              
3Helge Rosner, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863450              
4Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              

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 Abstract: Themagnetism ofmagnetoelectric 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, J(1) similar or equal to 9 K along the structural chains and J(ic1) similar or equal to 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 J(ic1) similar or equal to 2.3 K operates between the chains, while J(1) similar or equal to 1.2 K is about two times smaller. The additional interlayer coupling J(ic2) similar or equal to J(1) 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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Language(s): eng - English
 Dates: 2014-12-15
 Publication Status: Published in print
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Title: Physical Review B
  Other : Phys. Rev. B
Source Genre: Journal
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Publ. Info: Woodbury, NY : American Physical Society
Pages: - Volume / Issue: 90 (21) Sequence Number: 214424 Start / End Page: 1 - 11 Identifier: ISSN: 1098-0121
CoNE: https://pure.mpg.de/cone/journals/resource/954925225008