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

Yuan Li, Veaceslav Coropceanu, Jean-Luc Bredas

Research output: Contribution to journalArticlepeer-review

31 Scopus citations

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.

Original languageEnglish (US)
Article number204713
JournalJournal of Chemical Physics
Volume138
Issue number20
DOIs
StatePublished - Jul 1 2013

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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