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arXiv 2011-04-01 DOI 10.1103/PhysRevB.85.205146 0 views

Magnetism and Charge ordering in TMTTF₂-PF₆ organic crystals

Giovannetti, Gianluca · Kumar, Sanjeev · Pouget, Jean-Paul · Capone, Massimo

Original · EN

Using a combination of Density Functional Theory, mean-field analysis and exact diagonalization calculations we reveal the emergence of a dimerized charge ordered state in TMTTF₂-PF₆ organic crystal. The interplay between charge and spin order leads to a rich phase diagram. Coexistence of charge ordering with a structural dimerization results in a ferroelectric phase, which has been observed experimentally. The tendency to the dimerization is magnetically driven revealing TMTTF₂-PF₆ as a multiferroic material.

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