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Charge ordering and structural transition in the new organic conductor {delta}'-(BEDT-TTF){sub 2}CF{sub 3}CF{sub 2}SO{sub 3}.

Journal Article · · Journal of Physical Chemistry. C
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We report structural, transport, and optical properties and electronic structure calculations of the delta'-(BEDT-TTF) 2CF3CF2SO3 (BEDT-TTF = bis(ethylenedithio)-tetrathiafulvalene) organic conductor that has been synthesized by electrocrystallization. Electronic structure calculations demonstrate the quasi-one-dimensional Fermi surfaces of the compound, while the optical spectra are characteristic for a dimer-Mott insulator. The single-crystal X-ray diffraction measurements reveal the structural phase transition at 200 K from the ambient-temperature monoclinic P2(1)/m phase to the low-temperature orthorhombic Pca2(1) phase, while the resistivity measurements clearly show the first order semiconductor-semiconductor transition at the same temperature. This transition is accompanied by charge-ordering as it is confirmed by splitting of charge-sensitive vibrational modes observed in the Raman and infrared spectra. The horizontal stripe charge-order pattern is suggested based on the crystal structure, band structure calculations, and optical spectra.
Research Organization:
Argonne National Laboratory (ANL)
Sponsoring Organization:
USDOE Office of Science - Office of Basic Energy Sciences; Polish Academy of Sciences; National Science Foundation (NSF)
DOE Contract Number:
AC02-06CH11357
OSTI ID:
1973260
Journal Information:
Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 4 Vol. 126; ISSN 1932-7447
Country of Publication:
United States
Language:
English

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