Anisotropy of the Mobility of Pentacene from Frustration

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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.
Accepted for publication in Synthetic Metals

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Materials Science

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http://salesiana.dossiersoluciones.com/handle/123456789/20650

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/cond-mat/0301078
 http://arxiv.org/abs/cond-mat/0301078

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arXiv