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. © 2013 American Physical Society.

Frenkel versus charge-transfer exciton dispersion in molecular crystals / Cudazzo, P.; Gatti, M.; Rubio, A.; Sottile, F.. - In: PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS. - ISSN 1098-0121. - 88:19(2013). [10.1103/PhysRevB.88.195152]

Frenkel versus charge-transfer exciton dispersion in molecular crystals

Cudazzo P.;
2013-01-01

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. © 2013 American Physical Society.
2013
19
Cudazzo, P.; Gatti, M.; Rubio, A.; Sottile, F.
Frenkel versus charge-transfer exciton dispersion in molecular crystals / Cudazzo, P.; Gatti, M.; Rubio, A.; Sottile, F.. - In: PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS. - ISSN 1098-0121. - 88:19(2013). [10.1103/PhysRevB.88.195152]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11572/357155
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