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A relation derived from the Kubo formula shows that optical conductivity measurements below the gap frequency in doped semiconductors can be used to probe directly the time-dependent quantum dynamics of charge carriers. This allows to…

Materials Science · Physics 2015-03-17 S. Ciuchi , S. Fratini , D. Mayou

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…

Other Condensed Matter · Physics 2009-11-11 J. -D. Picon , M. N. Bussac , L. Zuppiroli

Charge transport in crystalline organic semiconductors is intrinsically limited by the presence of large thermal molecular motions, which are a direct consequence of the weak van der Waals inter-molecular interactions. These lead to an…

Materials Science · Physics 2018-06-18 S. Fratini , D. Mayou , S. Ciuchi

Charge transport in organic semiconductors is notoriously extremely sensitive to the presence of disorder, both intrinsic and extrinsic, especially for n-type materials. Intrinsic dynamic disorder stems from large thermal fluctuations both…

We provide a phenomenological formula which describes the low-frequency optical absorption of charge carriers in disordered systems with localization. This allows to extract, from experimental data on the optical conductivity, the relevant…

Materials Science · Physics 2015-06-19 Simone Fratini , Sergio Ciuchi , Didier Mayou

Charge transport in organic semiconductors is notoriously extremely sensitive to the presence of disorder, both internal and external (i.e. related to the interactions with the dielectric layer), especially for n-type materials. Internal…

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…

Materials Science · Physics 2020-01-08 S. Fratini , S. Ciuchi

We study a tight binding model including both on site disorder and coupling of the electrons to randomly oriented magnetic moments. The transport properties are calculated via the Kubo-Greenwood scheme, using the exact eigenstates of the…

Disordered Systems and Neural Networks · Physics 2009-11-11 Sanjeev Kumar , Pinaki Majumdar

We use first-principle Quantum Monte-Carlo (QMC) simulations and numerical exact diagonalization to analyze the low-frequency charge carrier mobility within a simple tight-binding model of molecular organic semiconductors on a…

Materials Science · Physics 2025-07-23 Pavel Buividovich , Johann Ostmeyer , Alessandro Troisi

We have investigated the charge carrier transport in organic molecular semiconductors. It has been found that mobility is a function of electric field and temperature due to hopping conduction. Several theoretical models for charge…

Materials Science · Physics 2007-05-23 Ajit Kumar Mahapatro , Subhasis Ghosh

We analyze a model that accounts for the inherently large thermal lattice fluctuations associated to the weak van der Waals inter-molecular bonding in crystalline organic semiconductors. In these materials the charge mobility generally…

Materials Science · Physics 2010-01-08 S. Fratini , S. Ciuchi

Thermoelectric materials convert a temperature gradient into a voltage. This phenomenon is relatively well understood for inorganic materials, but much less so for organic semiconductors (OSs). These materials present a challenge because…

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…

Materials Science · Physics 2021-08-04 Weitang Li , Jiajun Ren , Zhigang Shuai

We prove that a diagrammatic evaluation of the Kubo formula for the electronic transport conductivity due the exchange of bosonic excitations, in the usual conserving ladder approximation, yields a result consistent with the Boltzmann…

Statistical Mechanics · Physics 2015-05-13 D. Belitz , T. R. Kirkpatrick

This paper introduces a novel method to account for quantum disorder effects into the classical drift-diffusion model of semiconductor transport through the localization landscape theory. Quantum confinement and quantum tunneling in the…

Organic semiconductors are indispensable for today's display technologies in form of organic light emitting diodes (OLEDs) and further optoelectronic applications. However, organic materials do not reach the same charge carrier mobility as…

Soft Condensed Matter · Physics 2023-10-12 Patrick Reiser , Manuel Konrad , Artem Fediai , Salvador Léon , Wolfgang Wenzel , Pascal Friederich

The effect of thermal structural fluctuations on the modulation of the transfer integrals between close molecules is studied using a combination of molecular dynamics simulations and quantum chemical calculations of the transfer integral.…

Other Condensed Matter · Physics 2007-05-23 Alessandro Troisi , Giorgio Orlandi

In weakly interacting organic semiconductors, static and dynamic disorder often have an important impact on transport properties. Describing charge transport in these systems requires an approach that correctly takes structural and…

Materials Science · Physics 2017-11-15 Susanne Leitherer , Christof M. Jäger , Andreas Krause , Marcus Halik , Tim Clark , Michael Thoss

Electronic states and transport phenomena in semiconductor quantum dots are studied theoretically. Taking account of the electron-electron Coulomb interaction by the exact diagonalization method, the ground state and low-lying excited…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 Mikio Eto

Charge transport in disordered organic semiconductors occurs by hopping of charge carriers between localized sites that are randomly distributed in a strongly energy dependent density of states. Extracting disorder and hopping parameters…

Materials Science · Physics 2021-03-08 Tanvi Upreti , Yuming Wang , Huotian Zhang , Dorothea Scheunemann , Feng Gao , Martijn Kemerink
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