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Frenkel versus charge-transfer exciton dispersion in molecular crystals

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.
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Submitted on : Wednesday, January 15, 2014 - 9:47:19 AM
Last modification on : Wednesday, August 31, 2022 - 4:46:23 PM

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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), American Physical Society, 2013, 88 (19), pp.195152. ⟨10.1103/PhysRevB.88.195152⟩. ⟨hal-00931192⟩



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