Symmetry effects on nonlocal electron-phonon coupling in organic semiconductors

Yuan Li*, Yuanping Yi, Veaceslav Coropceanu, Jean Luc Brédas

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

45 Scopus citations

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.

Original languageEnglish (US)
Article number245201
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume85
Issue number24
DOIs
StatePublished - Jun 1 2012
Externally publishedYes

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

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