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 RTA and experiment.
Two channel model for optical conductivity of high mobility organic crystals
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abstract
We show that the temperature dependence of conductivity of high mobility organic crystals Pentacene and Rubrene can be quantitatively described in the framework of the model where carriers are scattered by quenched local impurities and interact with phonons by Su-Schrieffer-Hegger (SSH) coupling. Within this model, we present approximation free results for mobility and optical conductivity obtained by world line Monte Carlo, which we generalize to the case of coupling both to phonons and impurities. We find fingerprints of carrier dynamics in these compounds which differ from conventional metals and show that the dynamics of carriers can be described as a superposition of a Drude term representing diffusive mobile particles and a Lorentz term associated with dynamics of localized charges.
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cond-mat.mtrl-sci 1years
2024 1verdicts
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High-precision Quantum Monte-Carlo study of charge transport in a lattice model of molecular organic semiconductors
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 RTA and experiment.