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Wave-packet approach to transport properties of carrier coupled with intermolecular and intramolecular vibrations of organic semiconductors
Author(s) -
Hiroyuki Ishii,
Keisuke Honma,
Nobuhiko Kobayashi,
Kei Hirose
Publication year - 2012
Publication title -
physical review b
Language(s) - English
Resource type - Journals
eISSN - 1538-4489
pISSN - 1098-0121
DOI - 10.1103/physrevb.85.245206
Subject(s) - polaron , pentacene , organic semiconductor , intramolecular force , condensed matter physics , semiconductor , intermolecular force , materials science , charge carrier , chemical physics , charge (physics) , phonon , vibration , diffusion , physics , nanotechnology , optoelectronics , molecule , thermodynamics , quantum mechanics , electron , layer (electronics) , thin film transistor
We present a methodology to study the charge-transport properties of organic semiconductors by the time-dependent wave-packet diffusion method, taking the polaron effects into account. As an example, we investigate the transport properties of single-crystal pentacene organic semiconductors coupled with inter- and intramolecular vibrations within the mixed Holstein and Peierls model, which describes both hopping and bandlike transport behaviors due to small and large polaron formations. Taking into account static disorders, which inevitably exist in the molecular crystals, we present the temperature dependence of charge-transport properties in competition among the thermal fluctuation of molecular motions, the polaron formation, and the static disorders

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