Correlation-driven electronic multiferroicity in (TMTTF)${}_2$-$X$ organic crystals

Abstract

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${}_6$, As$F_6$, 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 polarization is enhanced by the onset of antiferromagnetism showing a sizable magnetoelectric leading to a multiferroic behavior of (TMTTF)${}_2$-$X$ compounds.

5 pages, 4 figures

References in corpus (28)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions
• First-principles study of spontaneous polarization in multiferroic BiFeO${}_3$
• Multiferroicity due to charge ordering
• Charge ordering in the TMTTF family of molecular conductors
• The ferroelectric Mott-Hubbard phase of organic (TMTTF)2X conductors
• Antiferromagnetic Phases of One-Dimensional Quarter-Filled Organic Conductors
• Multiferroicity in an organic charge-transfer salt: Electric-dipole-driven magnetism
• Theoretical Aspects of Charge Ordering in Molecular Conductors
• Theory of Electronic Ferroelectricity
• Electronic Ferroelectricity in the Falicov-Kimball Model
• Solving Dynamical Mean-Field Theory at very low temperature using Lanczos Exact Diagonalization
• Competition and coexistence of bond and charge orders in (TMTTF)2AsF6
• Evidence for multiferroicity in TTF-CA organic molecular crystals
• Deducing correlation parameters from optical conductivity in the Bechgaard salts
• Magnetically induced electronic ferroelectricity in half-doped manganites
• Extended Hubbard model: Charge Ordering and Wigner-Mott transition
• Relaxor ferroelectricity induced by electron correlations in a molecular dimer Mott insulator
• Microscopic origin of large negative magneto-electric coupling in Sr${}_{1/2}$Ba${}_{1/2}$MnO${}_3$
• Electric polarization in correlated insulators
• Tuning the magnetic dimensionality by charge ordering in the molecular TMTTF salts
• Electronic properties of Fabre charge-transfer salts under various temperature and pressure conditions
• Deconfinement transition and dimensional crossover in the Bechgaard-Fabre salts: pressure- and temperature-dependent optical investigations
• Redistribution of electronic charges in spin-Peierls state in (TMTTF)2AsF6 observed by 13C NMR
• Influence of Charge Order on the Ground States of TMTTF Molecular Salts
• 13C NMR study of the magnetic properties of the quasi-one-dimensional conductor, (TMTTF)2SbF6
• Electric polarization of Sr${}_{0.5}$Ba${}_{0.5}$MnO${}_3$: a multiferroic Mott insulator
• Magnetism and Charge ordering in TMTTF${}_2$-PF${}_6$ organic crystals

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• Relaxation dynamics in the one-dimensional organic charge-transfer salt δ-(EDT-TTF-CONMe${}_2$)${}_2$Br
• Intriguing relaxor ferroelectricity in a polar CT crystal at the neutral-ionic interface
• Realization of anomalous multiferroicity in free-standing graphene with magnetic adatoms