Multi-scale modeling of spin transport in organic semiconductors

ORAL

Abstract

In this work, we present our theoretical framework to simulate simultaneously spin and charge transport in amorphous organic semiconductors. By combining several techniques e.g. molecular dynamics, density functional theory and kinetic Monte Carlo, we are be able to study spin transport in the presence of anisotropy, thermal effects, magnetic and electric field effects in a realistic morphologies of amorphous organic systems. We apply our multi-scale approach to investigate the spin transport in amorphous Alq3 (Tris(8-hydroxyquinolinato)aluminum) and address the underlying spin relaxation mechanism in this system as a function of temperature, bias voltage, magnetic field and sample thickness.

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Authors

  • Shayan Hemmatiyan

    • Department of Physics, Texas A&M University, College Station, Texas 77843, USA/Institut fur Physik, Johannes Gutenberg Universitat Mainz, Germany

  • Amaury Souza

    • Institut für Physik, Johannes Gutenberg Universität Mainz, D-55099 Mainz, Germany

  • Pascal Kordt

    • Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany

  • Erik McNellis

    • Institut für Physik, Johannes Gutenberg Universität Mainz, D-55099 Mainz, Germany

  • Denis Andrienko

    • Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany

  • Jairo Sinova

    • Institut für Physik, Johannes Gutenberg Universität Mainz, D-55099 Mainz, Germany
    • Institut fur Physik, Johannes Gutenberg Universitat Mainz