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Phys Rev Lett. 2007 Jun 15;98(24):247601. Epub 2007 Jun 11.

Electronic structures of the highest occupied molecular orbital bands of a pentacene ultrathin film.

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1
Graduate School of Advanced Integration Science, Chiba University, Chiba 263-8522, Japan.

Abstract

We report the energy dispersions of the highest occupied molecular orbitals (HOMO)-derived bands of a pentacene (Pn) thin film, whose in-plane structure resembles closely that of the ab plane of a low-density bulk Pn phase. Our present photoemission result indicates that the overlap of the pi-orbitals of adjacent Pn molecules is larger than what was expected from theoretical calculations. Further, of the two HOMO-derived bands, the large dispersion width of the band with higher binding energy suggests that this one mainly contributes to the bandlike charge transport in a Pn crystal.

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