On dynamical localization corrections to band transport

Abstract

Bloch-Boltzmann transport theory fails to describe the carrier diffusion in current crystalline organic semiconductors, where the presence of large-amplitude thermal molecular motions causes substantial dynamical disorder. The charge transport mechanism in this original situation is now understood in terms of a transient localization of the carriers' wavefunctions, whose applicability is however limited to the strong disorder regime. In order to deal with the ever-improving performances of new materials, we develop here a unified theoretical framework that includes transient localization theory as a limiting case, and smoothly connects with the standard band description when molecular disorder is weak. The theory, which specifically adresses the emergence of dynamical localization corrections to semiclassical transport, is used to determine a "transport phase diagram" of high-mobility organic semiconductors.

14 pages, 6 figures completely revised version

References in corpus (7)

• Chasing the killer phonon mode for the rational design of low disorder, high mobility molecular semiconductors
• Charge Transport in Organic Molecular Semiconductors from First Principles: The Band-Like Hole Mobility in Naphthalene Crystal
• Electronic transport and quantum localization effects in organic semiconductors
• Phenomenological model for charge dynamics and optical response of disordered systems: application to organic semiconductors
• Crossover from Super- to Sub-Diffusive Motion and Memory Effects in Crystalline Organic Semiconductors
• Optical absorption and activated transport in polaronic systems
• Light Quasiparticles Dominate Electronic Transport in Molecular Crystal Field-Effect Transistors

Cited by in corpus (14)

• Optical detection of charge-density-wave instability in the non-magnetic kagome metal KV${}_3$Sb${}_5$
• A General Charge Transport Picture for Organic Semiconductors with Nonlocal Electron-Phonon Couplings
• Spin-reorientation-induced band gap in Fe${}_3$Sn${}_2$: Optical signatures of Weyl nodes
• Rise and Fall of Landau's Quasiparticles While Approaching the Mott Transition
• Displaced Drude peak and bad metal from the interaction with slow fluctuations
• Transient localization from the interaction with quantum bosons
• Holstein polaron transport from numerically "exact" real-time quantum dynamics simulations
• Vertex corrections to conductivity in the Holstein model: A numerical-analytical study
• 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
• Charge transport limited by nonlocal electron-phonon interaction. I. Hierarchical equations of motion approach
• Numerically "exact" charge transport dynamics in a dissipative electron-phonon model rationalizing the success of the transient localization scenario
• Electron-phonon coupling and mobility modeling in organic semiconductors: method and application to tetracene polymorphs
• Quantum-classical study of charge transport in organic semiconductors with multiple low-frequency vibrational modes