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Plasmon dispersion in molecular solids: Picene and potassium-doped picene

AuthorsCudazzo, Pierluigi; Gatti, Matteo; Knupfer, M.; Rubio, Angel
Issue Date2011
PublisherAmerican Physical Society
CitationPhysical Review B 84(15): 155118 (2011)
AbstractWe investigate the dynamic response of pristine and potassium-doped picene, the first example of a new family of organic molecular superconductors, by combining first-principles calculations and state-of-the-art experimental tools. We find that charge-carrier plasmons in K3 picene have a negative or almost negligible dispersion, which deviates from the traditional picture of metals based on the homogeneous electron gas. We show how this finding is the result of the competition between metallicity and electronic localization on the molecular units. Conduction electrons alone give rise to the negative dispersion, which is reduced by molecular polarization and crystal local-field effects. This analysis allows us to obtain a general picture of the plasmon dispersion in metallic molecular crystals.
Publisher version (URL)http://dx.doi.org/10.1103/PhysRevB.84.155118
Identifiersdoi: 10.1103/PhysRevB.84.155118
issn: 1098-0121
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