Microscopic investigation of Fabre charge transfer salts as function of temperature and pressure

ORAL

Abstract

The Fabre charge transfer salts are quasi-1D materials with a rich temperature and pressure phase diagram. We use literature as well as newly obtained crystal structures to sample many temperatures and pressures (both chemical and physical). We find that general trends in their electronic properties can be connected to their phase diagram. Finally, we analyze the importance of correlations in these systems using an extended Hubbard model, parametrized using DFT Wannier orbital overlaps.

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Authors

  • Helene Feldner

    Institut f\"ur Theoretische Physik, Goethe-Universit\"at Frankfurt/Main, 60438 Frankfurt, Germany, Institut f\"ur Theoretische Physik, Goethe-Unversit\"at Frankfurt, Max-von-Laue-Str. 1, 60438 Frankfurt, Germany

  • Anthony Jacko

    Institut f\"ur Theoretische Physik, Goethe-Unversit\"at Frankfurt, Max-von-Laue-Str. 1, 60438 Frankfurt, Germany

  • Eva Rose

    Physikalisches Institut, Universit\"at Stuttgart, Pfaffenwaldring 57, D-70550 Stuttgart, Germany

  • Martin Dressel

    Univ. of Stuttgart (Germany), Physikalisches Institut, Universit\"at Stuttgart, Pfaffenwaldring 57, D-70550 Stuttgart, Germany

  • Roser Valenti

    Institut f\"ur Theoretische Physik, Goethe-Unversit\"at Frankfurt, Max-von-Laue-Str. 1, 60438 Frankfurt, Germany, Institut f\"ur Theoretische Physik, Goethe-Universit\"at Frankfurt, Max-von-Laue-Strasse 1, 60438 Frankfurt/Main, Germany, Institut f\"ur Theoretische Physik, Goethe-Universit\"at Frankfurt/Main, 60438 Frankfurt, Germany, Institut f\"ur Theoretische Physik, Goethe-Universit\"at Frankfurt, Max-von-Laue-Strasse 1, 60438 Frankfurt/Main , Germany, Institut f\"ur Theoretische Physik, Goethe-Universit\"at Frankfurt, Max-von-Laue-Str. 1, 60438 Frankfurt, Germany, Universitaet Frankfurt

  • Harald O. Jeschke

    Institut f\"ur Theoretische Physik, Goethe-Unversit\"at Frankfurt, Max-von-Laue-Str. 1, 60438 Frankfurt, Germany, Institut f\"ur Theoretische Physik, Goethe-Universit\"at Frankfurt, Max-von-Laue-Strasse 1, 60438 Frankfurt/Main, Germany, Institut f\"ur Theoretische Physik, Goethe-Universit\"at Frankfurt, Max-von-Laue-Strasse 1, 60438 Frankfurt/Main , Germany, Institut f\"ur Theoretische Physik, Goethe-Universit\"at Frankfurt, Max-von-Laue-Str. 1, 60438 Frankfurt, Germany, Institut f\"ur Theoretische Physik, Goethe-Universit\"at Frankfurt/Main, 60438 Frankfurt, Germany