Quantum coherence and carriers mobility in organic semiconductors

Abstract

We present a model of charge transport in organic molecular semiconductors based on the effects of lattice fluctuations on the quantum coherence of the electronic state of the charge carrier. Thermal intermolecular phonons and librations tend to localize pure coherent states and to assist the motion of less coherent ones. Decoherence is thus the primary mechanism by which conduction occurs. It is driven by the coupling of the carrier to the molecular lattice through polarization and transfer integral fluctuations as described by the hamiltonian of Gosar and Choi. Localization effects in the quantum coherent regime are modeled via the Anderson hamiltonian with correlated diagonal and non-diagonal disorder leading to the determination of the carrier localization length. This length defines the coherent extension of the ground state and determines, in turn, the diffusion range in the incoherent regime and thus the mobility. The transfer integral disorder of Troisi and Orlandi can also be incorporated. This model, based on the idea of decoherence, allowed us to predict the value and temperature dependence of the carrier mobility in prototypical organic semiconductors that are in qualitative accord with experiments.

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Cited by in corpus (17)

• The transient localization scenario for charge transport in crystalline organic materials
• Band-like motion and mobility saturation in organic molecular semiconductors
• Transient localization in crystalline organic semiconductors
• First principles calculations of anisotropic charge carrier mobilities in organic semiconductor crystals
• Electron-phonon coupling in crystalline Pentacene films
• Electronic transport and quantum localization effects in organic semiconductors
• Polaron Transport in Organic Crystals: Temperature Tuning of Disorder Effects
• Phenomenological model for charge dynamics and optical response of disordered systems: application to organic semiconductors
• Electron-phonon coupling in crystalline organic semiconductors: Microscopic evidence for nonpolaronic charge carriers
• Monte Carlo simulation based on dynamic disorder model in organic semiconductors: From bandlike to hopping transport
• Exciton Transfer in Organic Photovoltaic Cells: A Role of Local and Nonlocal Electron-Phonon Interactions in a Donor Domain
• Optical conductivity and optical effective mass in a high-mobility organic semiconductor: Implications for the nature of charge transport
• Coherent charge carrier dynamics in the presence of thermal lattice vibrations
• Drift of Charge Carriers in Crystalline Organic Semiconductors
• Decoherence and Energy Relaxation in the Quantum-Classical Dynamics for Charge Transport in Organic Semiconducting Crystals: an Instantaneous Decoherence Correction Approach
• Polaronic quantum diffusion in dynamic localization regime
• On the interface polaron formation in organic field-effect transistors