title: Effect of Polarization on the Mobility of C60: A Kinetic Monte Carlo Study.
abstract: We present a study of mobility field and temperature dependence for C60 with Kinetic Monte Carlo simulations. We propose a new scheme to take into account polarization effects in organic materials through atomic induced dipoles on nearby molecules. This leads to an energy correction for the single site energies and to an external reorganization happening after each hopping. The inclusion of polarization allows us to obtain a good agreement with experiments for both mobility field and temperature dependence.
authors.affiliation: Department of Physics, Chemistry and Biology (IFM), Linköping University , SE-581 83 Linköping, Sweden.
authors.forename: Riccardo
authors.initials: R
authors.lastname: Volpi
authors.affiliation: Scientific Visualization Group, ITN, Linköping University , SE-581 83 Linköping, Sweden.
authors.forename: Sathish
authors.initials: S
authors.lastname: Kottravel
authors.affiliation: Department of Physics, Chemistry and Biology (IFM), Linköping University , SE-581 83 Linköping, Sweden.|Department of Physics, Chemistry and Pharmacy, University of Southern Denmark , DK-5230 Odense M, Denmark.
authors.forename: Morten Steen
authors.initials: MS
authors.lastname: Nørby
authors.affiliation: Department of Physics, Chemistry and Biology (IFM), Linköping University , SE-581 83 Linköping, Sweden.
authors.forename: Sven
authors.initials: S
authors.lastname: Stafström
authors.affiliation: Department of Physics, Chemistry and Biology (IFM), Linköping University , SE-581 83 Linköping, Sweden.|Swedish e-Science Research Centre (SeRC), Linköping University , SE-581 83 Linköping, Sweden.
authors.forename: Mathieu
authors.initials: M
authors.lastname: Linares