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Anisotropy of the Mobility of Pentacene from Frustration

Gilles A. de Wijs·Christine C. Mattheus·Robert A. de Groot·Thomas T. M. Palstra
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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.

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Gilles A. de Wijs, Christine C. Mattheus, Robert A. de Groot, Thomas T. M. Palstra. 2003-01-07. Anisotropy of the Mobility of Pentacene from Frustration. https://arxiv.org/abs/cond-mat/0301078

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