Anisotropy of the Mobility of Pentacene from Frustration
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 fit. The anisotropy is shown to be intimately related to the herringbone structure.
- Publication:
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arXiv e-prints
- Pub Date:
- January 2003
- DOI:
- arXiv:
- arXiv:cond-mat/0301078
- Bibcode:
- 2003cond.mat..1078D
- Keywords:
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- Condensed Matter - Materials Science
- E-Print:
- Accepted for publication in Synthetic Metals