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

TitleNonlocal electron-phonon coupling in organic semiconductor crystals: the role of acoustic lattice vibrations.
Publication TypeJournal Article
Year of Publication2013
AuthorsLi Y, Coropceanu V, Brédas J-L
JournalThe Journal of chemical physics
Volume138
Issue20
Pagination204713
Date Published2013 May 28
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.

DOI10.1016/j.outlook.2013.03.006
Alternate JournalJ Chem Phys