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Journal Articles Physical Review B: Condensed Matter and Materials Physics (1998-2015) Year : 2013

Frenkel versus charge-transfer exciton dispersion in molecular crystals

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Abstract

By solving the many-body Bethe-Salpeter equation at finite momentum transfer, we characterize the exciton dispersion in two prototypical molecular crystals, picene and pentacene, in which localized Frenkel excitons compete with delocalized charge-transfer excitons. We explain the exciton dispersion on the basis of the interplay between electron and hole hopping and electron-hole exchange interaction, unraveling a simple microscopic description to distinguish Frenkel and charge-transfer excitons. This analysis is general and can be applied to other systems in which the electron wave functions are strongly localized, as in strongly correlated insulators.

Dates and versions

hal-00931192 , version 1 (15-01-2014)

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Pierluigi Cudazzo, Matteo Gatti, Angel Rubio, Francesco Sottile. Frenkel versus charge-transfer exciton dispersion in molecular crystals. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2013, 88 (19), pp.195152. ⟨10.1103/PhysRevB.88.195152⟩. ⟨hal-00931192⟩
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