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Crossover from Super- to Sub-Diffusive Motion and Memory Effects in Crystalline Organic Semiconductors

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arxiv 1408.5586 v1 pith:OSTYSDEP submitted 2014-08-24 cond-mat.mtrl-sci cond-mat.mes-hall

classification cond-mat.mtrl-scicond-mat.mes-hall
keywords modelcrossovercrystallineeffectsinteractionlatticememorymotion
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abstract

The transport properties at finite temperature of crystalline organic semiconductors are investigated, within the Su-Schrieffer-Heeger model, by combining exact diagonalization technique, Monte Carlo approaches, and maximum entropy method. The temperature-dependent mobility data measured in single crystals of rubrene are successfully reproduced: a crossover from super- to sub-diffusive motion occurs in the range $150 \leq T \leq 200$ K, where the mean free path becomes of the order of the lattice parameter and strong memory effects start to appear. We provide an effective model which can successfully explain low frequencies features of the absorption spectra. The observed response to slowly varying electric field is interpreted by means of a simple model where the interaction between the charge carrier and lattice polarization modes is simulated by a harmonic interaction between a fictitious particle and an electron embedded in a viscous fluid.

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  1. High-precision Quantum Monte-Carlo study of charge transport in a lattice model of molecular organic semiconductors

    cond-mat.mtrl-sci 2024-11 conditional novelty 5.0 of 10

    Quantum Monte Carlo data on a rubrene-like lattice model show the relaxation time approximation is inconsistent with the computed correlator, while a one-parameter fit yields a low-frequency mobility estimate below RT...

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