Polaron Transport in Organic Crystals: Temperature Tuning of Disorder Effects

Abstract

We explore polaronic quantum transport in three-dimensional models of disordered organic crystals with strong coupling between electronic and vibrational degrees of freedom. By studying the polaron dynamics in a static disorder environment, temperature dependent mobilities are extracted and found to exhibit different fingerprints depending on the strength of the disorder potential. At low temperatures and for strong enough disorder, coherence effects induce weak localization of polarons. These effects are reduced with increasing temperature (thermal disorder) resulting in mobility increase. However at a transition temperature, phonon-assisted contributions driven by polaron-phonon scattering prevail, provoking a downturn of the mobility. The results provide an alternative scenario to discuss controversial experimental features in molecular crystals.

References in corpus (6)

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• First principles calculations of anisotropic charge carrier mobilities in organic semiconductor crystals
• Electron-phonon coupling in crystalline Pentacene films
• Quantum coherence and carriers mobility in organic semiconductors
• Vibrational inelastic scattering effects in molecular electronics
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Cited by in corpus (7)

• Linear Scaling Quantum Transport Methodologies
• Trapping of three-dimensional Holstein polarons by various impurities
• Dressed tunneling approximation for electronic transport through molecular transistors
• Combining linear-scaling quantum transport and machine-learning molecular dynamics to study thermal and electronic transports in complex materials
• Full-counting statistics of energy transport of molecular junctions in the polaronic regime
• Thermal rectification in a double quantum dots system with polaron effect
• Spin-conserving Boltzmann theory for carriers and excitons in organic semiconductors