Frenkel versus charge-transfer exciton dispersion in molecular crystals

Pierluigi Cudazzo; Matteo Gatti; Angel Rubio; Francesco Sottile

Frenkel versus charge-transfer exciton dispersion in molecular crystals

Pierluigi Cudazzo ^{1, 2} Matteo Gatti ^{1, 2, 3, 4} Angel Rubio ^{1, 2, 5} Francesco Sottile ⁶

1 Nano-Bio Spectroscopy Group

2 ETSF - European Theoretical Spectroscopy Facility

3 LSI - Laboratoire des Solides Irradiés

4 SSOLEIL - Synchrotron SOLEIL

5 FHI - Fritz-Haber-Institut der Max-Planck-Gesellschaft

6 ST - Spectroscopie théorique

LSI - Laboratoire des Solides Irradiés

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.

Document type :

Journal articles

Domain :

Physics [physics] / Condensed Matter [cond-mat] / Other [cond-mat.other]

Complete list of metadatas

https://hal-polytechnique.archives-ouvertes.fr/hal-00931192
Contributor : Gaëlle Bruant <>
Submitted on : Wednesday, January 15, 2014 - 9:47:19 AM
Last modification on : Wednesday, March 27, 2019 - 4:26:02 PM

Frenkel versus charge-transfer exciton dispersion in molecular crystals

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Frenkel versus charge-transfer exciton dispersion in molecular crystals

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