Using a combination of density functional theory and dynamical mean field theory we show that electric polarization and magnetism are strongly intertwined in TMTTF2-X (X=PF6,AsF6, and SbF6) organic crystals. Electronic correlations induce a charge-ordered state which, combined with the molecular dimerization, gives rise to a finite electronic polarization and to a ferroelectric state. The value of the electronic polarization is enhanced by the onset of antiferromagnetism showing a sizable magnetoelectric effect which predicts the multiferroic behavior of TMTTF2-X compounds.
Correlation-driven electronic multiferroicity in TMTTF2-X organic crystals
Giovannetti G;Capone M
2015
Abstract
Using a combination of density functional theory and dynamical mean field theory we show that electric polarization and magnetism are strongly intertwined in TMTTF2-X (X=PF6,AsF6, and SbF6) organic crystals. Electronic correlations induce a charge-ordered state which, combined with the molecular dimerization, gives rise to a finite electronic polarization and to a ferroelectric state. The value of the electronic polarization is enhanced by the onset of antiferromagnetism showing a sizable magnetoelectric effect which predicts the multiferroic behavior of TMTTF2-X compounds.File in questo prodotto:
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