Correlation-driven electronic multiferroicity inTMTTF2−Xorganic crystals

Gianluca Giovannetti, Reza Nourafkan, Gabriel Kotliar, Massimo Capone
2015 Physical Review B  
Using a combination of density functional theory and dynamical mean field theory we show that electric polarization and magnetism are strongly intertwined in (TMTTF)_2-X (X=PF_6, AsF_6, and SbF_6) organic crystals and they originate from short-range Coulomb interactions. 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. We predict that the value of the electronic
more » ... rization is enhanced by the onset of antiferromagnetism showing a sizable magnetoelectric leading to a multiferroic behavior of (TMTTF)_2-X compounds.
doi:10.1103/physrevb.91.125130 fatcat:kufzmwj6hff7nfudltqxgm3rku