A General Charge Transport Picture for Organic Semiconductors with Nonlocal Electron-Phonon Couplings

Abstract

The nonlocal electron-phonon couplings in organic semiconductors responsible for the fluctuation of intermolecular transfer integrals has been the center of interest recently. Several irreconcilable scenarios coexist for the description of the nonlocal electron-phonon coupling, such as phonon-assisted transport, transient localization, and band-like transport. Through a nearly exact numerical study for the carrier mobility of the Holstein-Peierls model using the matrix product states approach, we locate the phonon-assisted transport, transient localization and band-like regimes as a function of the transfer integral ($V$) and the nonlocal electron-phonon couplings ($\Delta V$), and their distinct transport behaviors are analyzed by carrier mobility, mean free path, optical conductivity and one-particle spectral function. We also identify an "intermediate regime" where none of the established pictures applies, and the generally perceived hopping regime is found to be at a very limited end in the proposed regime paradigm.

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Cited by in corpus (16)

• A General Charge Transport Picture for Organic Semiconductors with Nonlocal Electron-Phonon Couplings
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• Optimal Tree Tensor Network Operators for Tensor Network Simulations: Applications to Open Quantum Systems
• Revealing Ultrafast Phonon Mediated Inter-Valley Scattering through Transient Absorption and High Harmonic Spectroscopies
• Efficient Quantum Simulation of Electron-Phonon Systems by Variational Basis State Encoder
• Jumping kinetic Monte Carlo: Fast and accurate simulations of partially delocalised charge transport in organic semiconductors
• Long-Range Non-Equilibrium Coherent Tunneling Induced by Fractional Vibronic Resonances
• First-principle quantum Monte-Carlo study of charge carrier mobility in organic molecular semiconductors
• Charge transport limited by nonlocal electron-phonon interaction. II. Numerically exact quantum dynamics in the slow-phonon regime
• Diagrammatic quantum Monte Carlo toward the calculation of transport properties in disordered semiconductors
• Identification of the transport regimes of the one-dimensional Holstein model
• Localization and spectrum of quasiparticles in a disordered fermionic Dicke model
• Quantum-classical study of charge transport in organic semiconductors with multiple low-frequency vibrational modes
• Improved Memory Truncation Scheme for Quasi-Adiabatic Propagator Path Integral via Influence Functional Renormalization
• Applicability of the cumulant expansion method for the calculation of transport properties in electron-phonon systems