Record link: 
http://hdl.handle.net/20.500.12708/149172
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Title: 
Magnetic Behavior of Volborthite Cu₃V₂O₇(OH)₂ * 2(H₂O) Determined by Coupled Trimers Rather than Frustrated Chains
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Citation: 
Janson, O., Furukawa, S., Momoi, T., Sindzingre, P., Richter, J., & Held, K. (2016). Magnetic Behavior of Volborthite Cu₃V₂O₇(OH)₂ * 2(H₂O) Determined by Coupled Trimers Rather than Frustrated Chains. Physical Review Letters, 117(3), Article 037206. https://doi.org/10.1103/physrevlett.117.037206
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Publisher DOI: 
10.1103/physrevlett.117.037206
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Publication Type: 
Article - Original Research Article
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Language: 
English
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Authors: 
Janson, O. 
Furukawa, S. 
Momoi, T. 
Sindzingre, P. 
Richter, J. 
Held, K. 
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Organisational Unit: 
E138-01 - Forschungsbereich Computational Materials Science 
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Journal: 
Physical Review Letters 
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ISSN: 
0031-9007
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Date (published): 
15-Jul-2016
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Number of Pages: 
6
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Peer reviewed: 
Yes
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Keywords: 
General Physics and Astronomy
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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 J2, as well as ferromagnetic J0 and J1. 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 -> infty model shows a tendency towards condensation of magnon bound states preceding the plateau phase.
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Research Areas: 
Quantum Modelling and Simulation: 20%
Computational Materials Science: 80%
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Science Branch: 
Physik, Astronomie
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