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A. Stroppa, P. Barone, P. Jain, J. M. Perez-Mato and S. Picozzi Hybrid Improper Ferroelectricity in a Multiferroic and Magnetoelectric Metal-Organic Framework Advanced Materials 25

Article first published online: 6 FEB 2013 | DOI: 10.1002/adma.201204738

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On the basis of first-principles calculations, we design a novel Cr-based metal-organic framework to be both multiferroic and magnetoelectric. The compound shows a “double-hybrid” nature: it is a hybrid organic-inorganic compound and it shows hybrid improper ferroelectricity. Here, the coupling of non-polar distortions, such as Jahn-Teller pseudo-rotations and tilting, pave the way to a polar behavior, with the coupling being realized through hydrogen bonds.

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