Intrinsic charge transport in single crystals of organic molecular semiconductors: A theoretical perspective

Veaceslav Coropceanu*, Yuan Li, Yuanping Yi, Lingyun Zhu, Jean-Luc Bredas

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

45 Scopus citations

Abstract

The aim of this article is to briefly review the progress made over the past few years in the theoretical description of the intrinsic charge-transport properties of organic molecular crystals. We first discuss the state-of-the-art methodologies used in the derivation of the electronic coupling and electron-phonon coupling constants. We illustrate the application of these techniques to two classes of semiconductors of interest for crystal-based organic electronics: crystals consisting of a single molecular building block, such as oligoacenes and their derivatives, and bimolecular crystals consisting of donor and acceptor compounds. After a brief overview of recent developments in the polaron modeling of the electronic and electrical properties of these systems, we examine the impact that the interplay between electronic interactions and various electron-phonon mechanisms has on the temperature dependence of the charge-carrier mobility.

Original languageEnglish (US)
Pages (from-to)57-64
Number of pages8
JournalMRS Bulletin
Volume38
Issue number1
DOIs
StatePublished - Jan 1 2013

Keywords

  • electrical properties
  • electron-phonon interactions
  • electronic material
  • electronic structure
  • organic

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Cite this