Tuning the magnetic dimensionality by charge ordering in the molecular TMTTF salts

Abstract

We theoretically investigate the interplay between charge ordering and magnetic states in quasi-one-dimensional molecular conductors TMTTF${}_{2}X$, motivated by the observation of a complex variation of competing and/or coexisting phases. We show that the ferroelectric-type charge order increases two-dimensional antiferromagnetic spin correlation, whereas in the one-dimensional regime two different spin-Peierls states are stabilized. By using first-principles band calculations for the estimation for the transfer integrals and comparing our results with the experiments, we identify the controlling parameters in the experimental phase diagram to be not only the interchain transfer integrals but also the amplitude of the charge order.

5 pages, 3 figures, accepted for publication in PRL

References in corpus (3)

• Theoretical Aspects of Charge Ordering in Molecular Conductors
• Finite-Temperature Phase Diagram of Quasi-One-Dimensional Molecular Conductors: Quantum Monte Carlo Study
• Phase competitions and coexistences in quasi-one-dimensional molecular conductors: exact diagonalization study

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