Charge ordering and low-temperature lattice distortion in the β′ -(BEDT- TTF)2CF3CF2SO3 dimer Mott insulator

I. Olejniczak, R. Wesołowski, H. O. Jeschke, R. Valentí, B. Barszcz, J. A. Schlueter

    Research output: Contribution to journalArticlepeer-review


    We present single-crystal x-ray diffraction measurements, optical investigations, and electronic structure calculations for the organic charge-transfer salt β′-(BEDT-TTF)2CF3CF2SO3 synthesized by electrocrystallization. Electronic structure calculations confirm the quasi-one-dimensional behavior of the compound and optical conductivity measurements reveal the dimer-Mott insulating nature of the system. The splitting of the charge-sensitive ν2 mode in Raman spectra demonstrates the onset of an interlayer charge-ordered phase below 25 K, also suggested by the crystal structure considerations. This transition is accompanied by clear signatures of a lattice distortion in the BEDT-TTF donor layer, as shown by a splitting of the vibrational ν3 mode in infrared spectra. At the same time, the sharp redshift of the ν1 mode involving the BEDT-TTF ethylene groups strongly suggests a significant modification of the hydrogen-type bonding present between the BEDT-TTF donor layer and the CF3CF2SO3- anion layer. These observations point to a subtle interplay of charge and lattice degrees of freedom at the phase transition.

    Original languageEnglish
    Article number035150
    JournalPhysical Review B
    Issue number3
    Publication statusPublished - Jan 29 2020

    ASJC Scopus subject areas

    • Electronic, Optical and Magnetic Materials
    • Condensed Matter Physics


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