Feature of Polaronic Charge Carriers in Polysilanes: Experimental and Theoretical Approach

Abstract

Formation and transport of polarons in poly[methyl(phenyl)silylene] is discussed. Analytical theory based on the effective medium approach is used to explain the electric field dependence of charge carrier mobility. The obtained value of the polaron binding energy is about 0.29 eV. This result is in agreement with quantum chemical calculations based on the B3LYP method. Charge carrier transport can be described by a small polaron movement in the presence of an energetic disorder. Polaron binding energy represents significant part of the activation energy of the charge mobility.

Keywords:

• Binding energy
• charge mobility
• hopping transport
• polaron
• poly[methyl(phenyl)silylene]
• polysilane

Acknowledgments

This work was supported by the Grant Agency of the Academy of Sciences of the Czech Republic (grants No. IAA100100622, KAN401770651 and KAN400720701). The access to the MetaCentrum (super)computing facilities provided under the research intent MSM6383917201 is highly appreciated. The grant was also supported by the European Commission through the Human Potential Programme (Marie-Curie RTN BIMORE, grant No. MRTN-CT-2006-035859) and by the Wroclaw University of Technology.