Anisotropy of the Mobility of Pentacene from Frustration

Details Anisotropy of the Mobility of Pentacene from Frustration Anisotropy of the Mobility of Pentacene from Frustration

2003-01-07

arxiv.org/abs/cond-mat/0301078v1

Physics

Condensed Matter

Materials Science

Accepted for publication in Synthetic Metals

Scientific paper

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 fit. The anisotropy is shown
to be intimately related to the herringbone structure.

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