Anisotropy of the mobility of pentacene from frustration

Gilles A. De Wijs*, Christine C. Mattheus, Robert A. De Groot, Thomas T.M. Palstra

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

125 Citations (Scopus)

Abstract

The bandstructure of pentacene is calculated using first-principles density functional theory. A large anisotropy of the hole and electron effective masses within the molecular planes is found. The band dispersion of the HOMO and the LUMO is analyzed with the help of a tight-binding (TB) fit. The anisotropy is shown to be intimately related to the herringbone structure.

Original languageEnglish
Pages (from-to)109-114
Number of pages6
JournalSynthetic metals
Volume139
Issue number1
DOIs
Publication statusPublished - 8 Aug 2003
Externally publishedYes

Keywords

  • Anisotropy
  • Bandstructure
  • Effective mass
  • Mobility
  • Pentacene

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