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(BEDT-TTF)2Cu2(CN)3 Spin Liquid: Beyond the Average Structure

Laboratory of Solid State Physics, CNRS UMR 8502, Univ. Paris Sud, Paris Saclay University, 91405 Orsay CEDEX, France
UPMC, LCP-MR, Sorbonne University, CNRS UMR 7614, F-75252 Paris, France
Department of Physcs, Cergy-Pontoise University, F-95031 Cergy-Pontoise, France
Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, B.P. 48, F-91192 Gif-sur-Yvette, France
Laboratory of Condensed Matter, EPFL, CH-1015 Lausanne, Switzerland
Institute of Physics, Bijenička Cesta 46, HR-10000 Zagreb, Croatia
Department of Applied Physics, University of Tokyo, Tokyo 113-8656, Japan
Department of Materials Science and Chemical Physics and Institute of Theoretical and Computational Chemistry (IQTCUB), University of Barcelona, Martí i Franquès 1, 08028 Barcelona, Spain
Institute of Materials Science of Barcelona (ICMAB-CSIC), Campus de la UAB, 08193 Bellaterra, Spain
Author to whom correspondence should be addressed.
Crystals 2018, 8(4), 158;
Received: 27 February 2018 / Revised: 29 March 2018 / Accepted: 30 March 2018 / Published: 4 April 2018
(This article belongs to the Special Issue Advances in Organic Conductors and Superconductors)
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We present here the first accurate determination of the exact structure of κ-(BEDT-TTF)2Cu2(CN)3. Not only did we show that the room temperature structure used over the last twenty years was incorrect, but we were also able to correctly and precisely determine it. The results of our work provide evidence that the structure presents a triclinic symmetry with two non-equivalent dimers in the unit cell, which implies a charge disproportionation between the dimers. However, structural refinement shows that the charge disproportionation is quite weak at room temperature. View Full-Text
Keywords: mott transition; molecular spin liquids; geometrical frustration; X-ray diffraction mott transition; molecular spin liquids; geometrical frustration; X-ray diffraction

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Foury-Leylekian, P.; Ilakovac, V.; Balédent, V.; Fertey, P.; Arakcheeva, A.; Milat, O.; Petermann, D.; Guillier, G.; Miyagawa, K.; Kanoda, K.; Alemany, P.; Canadell, E.; Tomic, S.; Pouget, J.-P. (BEDT-TTF)2Cu2(CN)3 Spin Liquid: Beyond the Average Structure. Crystals 2018, 8, 158.

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