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Magnetism and Charge ordering in TMTTF$_2$-PF$_6$ organic crystals

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arxiv 1104.0113 v1 pith:VTCMQYUH submitted 2011-04-01 cond-mat.str-el cond-mat.mtrl-sci

Gianluca Giovannetti , Sanjeev Kumar , Jean-Paul Pouget , Massimo Capone This is my paper · ORCID
classification cond-mat.str-elcond-mat.mtrl-sci
keywords chargetmttfdimerizationorderingorganicphaseanalysisbeen
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abstract

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 TMTTF$_2$-PF$_6$ 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 TMTTF$_2$-PF$_6$ as a multiferroic material.

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