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Updated: Mar 17, 2026

Author Spotlight: Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
Published on: June 9, 2023
Magnetic Behavior of Volborthite Cu_{3}V_{2}O_{7}(OH)_{2}·2H_{2}O Determined by Coupled Trimers Rather than
O Janson1, S Furukawa2, T Momoi3,4
1Institut für Festkörperphysik, TU Wien, Wiedner Hauptstraße 8-10, 1040 Vienna, Austria.
Abstract:
Motivated by recent experiments on volborthite single crystals showing a wide 1/3-magnetization plateau, we perform microscopic modeling by means of density functional theory (DFT) with the single-crystal structural data as a starting point. Using DFT+U, we find four leading magnetic exchanges: antiferromagnetic J and J_{2}, as well as ferromagnetic J^{'} and J_{1}. Simulations of the derived spin Hamiltonian show good agreement with the experimental low-field magnetic susceptibility and high-field magnetization data. The 1/3-plateau phase pertains to polarized magnetic trimers formed by strong J bonds. An effective J→∞ model shows a tendency towards condensation of magnon bound states preceding the plateau phase.
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