Lebernegg, S., Janson, O., Rousochatzakis, I., Nishimoto, S., Rosner, H., & Tsirlin, A. A. (2017). Frustrated spin chain physics near the Majumdar-Ghosh point in szenicsite Cu₃(MoO₄)(OH)₄. Physical Review B, 95(035145). https://doi.org/10.1103/physrevb.95.035145
In this joint experimental and theoretical work magnetic properties of the Cu2+ mineral szenicsite Cu3(MoO4)(OH)4 are investigated. This compound features isolated triple chains in its crystal structure, where the central chain involves an edge-sharing geometry of the CuO4 plaquettes, while the two side chains feature a corner-sharing zigzag geometry. The magnetism of the side chains can be described in terms of antiferromagnetic dimers with a coupling larger than 200 K. The central chain was found to be a realization of the frustrated antiferromagnetic J1−J2 chain model with J1≃68 K and a sizable second-neighbor coupling J2. The central and side chains are nearly decoupled owing to interchain frustration. Therefore, the low-temperature behavior of szenicsite should be entirely determined by the physics of the central frustrated J1−J2 chain. Our heat-capacity measurements reveal an accumulation of magnetic entropy at low temperatures and suggest a proximity of the system to the Majumdar-Ghosh point of the antiferromagnetic J1−J2 spin chain, J2/J1=0.5.
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Project title:
Ab initio Dynamical Vertex Approximation: 306447 (Europäischer Forschungsrat (ERC))
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Research Areas:
Computational Materials Science: 60% Modelling and Simulation: 40%
