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American Physical Society, Physical review B, 24(85), 2012

DOI: 10.1103/physrevb.85.245201

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Symmetry Effects on Nonlocal Electron-Phonon Coupling in Organic Semiconductors

Journal article published in 2012 by Yuan Li, Yuanping Yi ORCID, Veaceslav Coropceanu, Jean-Luc Bredas
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

The electronic and electrical properties of crystalline organic semiconductors, such as the dispersions of the electronic bands and the dependence of charge-carrier mobility on temperature, are greatly impacted by the nonlocal electron-phonon interactions associated with intermolecular lattice vibrations. Here, we present a theoretical description that underlines that these properties vary differently as a function of the symmetry of the nonlocal electron-phonon coupling mechanism. The electron-phonon coupling patterns in real space are seen to have a direct and significant impact on the interactions in reciprocal space. Our findings demonstrate the importance of aspects that are usually missing in current transport models. Importantly, an adequate description of the electronic and charge-transport properties of organic semiconductors requires that the models take into account both antisymmetric and symmetric contributions to the nonlocal electron-phonon coupling mechanism. ; Comment: Please refer to: PhysRevB.85.245201(2012)