Literature DB >> 23742506

Nonlocal electron-phonon coupling in organic semiconductor crystals: the role of acoustic lattice vibrations.

Yuan Li1, Veaceslav Coropceanu, Jean-Luc Brédas.   

Abstract

We discuss, in the context of a tight-binding description, how the electronic and charge-transport properties in single crystals of molecular organic semiconductors are affected by the nonlocal electron-phonon coupling to both acoustic and optical lattice vibrations. While the nonlocal electron-phonon interactions can in general be divided into contributions from symmetric modes and antisymmetric modes, we show that only the antisymmetric coupling mechanism is operational in the case of acoustic vibrations. Interestingly, when the quantum nature of the phonons can be neglected, the effect of electron-phonon interactions with acoustic phonons is found to be equivalent to that of the electron-phonon interactions with optical phonons, in the case where contributions from symmetric and antisymmetric modes are equal.

Year:  2013        PMID: 23742506     DOI: 10.1063/1.4807886

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  3 in total

1.  Polaron properties in 2D organic molecular crystals: directional dependence of non-local electron-phonon coupling.

Authors:  Marcelo Lopes Pereira Junior; Rafael Timóteo de Sousa Júnior; Bernhard Georg Enders Neto; Geraldo Magela E Silva; Luiz Antonio Ribeiro Junior
Journal:  J Mol Model       Date:  2019-05-07       Impact factor: 1.810

2.  Read between the Molecules: Computational Insights into Organic Semiconductors.

Authors:  Ganna Gryn'ova; Kun-Han Lin; Clémence Corminboeuf
Journal:  J Am Chem Soc       Date:  2018-11-19       Impact factor: 15.419

3.  Competition between diagonal and off-diagonal coupling gives rise to charge-transfer states in polymeric solar cells.

Authors:  Yao Yao; Nengji Zhou; Javier Prior; Yang Zhao
Journal:  Sci Rep       Date:  2015-09-28       Impact factor: 4.379

  3 in total

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