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  Exciton dispersion in molecular solids

Cudazzo, P., Sottile, F., Rubio, A., & Gatti, M. (2015). Exciton dispersion in molecular solids. Journal of Physics: Condensed Matter, 27(11): 113204. doi:10.1088/0953-8984/27/11/113204.

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http://dx.doi.org/10.1088/0953-8984/27/11/113204 (Verlagsversion)
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 Urheber:
Cudazzo, Pierluigi1, 2, Autor
Sottile, Francesco2, 3, Autor
Rubio, Angel1, 2, 4, Autor           
Gatti, Matteo2, 3, 5, Autor
Affiliations:
1Nano-Bio Spectroscopy group, Universidad del País Vasco, CFM CSIC-UPV/EHU-MPC and DIPC, E-20018 San Sebastián, Spain, ou_persistent22              
2European Theoretical Spectroscopy Facility (ETSF), ou_persistent22              
3Laboratoire des Solides Irradiés, École Polytechnique, CNRS-CEA/DSM, F-91128 Palaiseau, France, ou_persistent22              
4Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2074320              
5Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, F-91192 Gif-sur-Yvette, France, ou_persistent22              

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Schlagwörter: Electron-hole drops and electron-hole plasma; Exchange, correlation, dielectric and magnetic response functions, plasmons; Condensed matter: electrical, magnetic and optical
 Zusammenfassung: The investigation of the exciton dispersion (i.e. the exciton energy dependence as a function of the momentum carried by the electron–hole pair) is a powerful approach to identify the exciton character, ranging from the strongly localised Frenkel to the delocalised Wannier–Mott limiting cases. We illustrate this possibility at the example of four prototypical molecular solids (picene, pentacene, tetracene and coronene) on the basis of the parameter-free solution of the many-body Bethe–Salpeter equation. We discuss the mixing between Frenkel and charge-transfer excitons and the origin of their Davydov splitting in the framework of many-body perturbation theory and establish a link with model approaches based on molecular states. Finally, we show how the interplay between the electronic band dispersion and the exchange electron–hole interaction plays a fundamental role in setting the nature of the exciton. This analysis has a general validity holding also for other systems in which the electron wavefunctions are strongly localized, as in strongly correlated insulators.

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Sprache(n): eng - English
 Datum: 2015-01-122014-09-302015-01-202015-03-042015-03-25
 Publikationsstatus: Erschienen
 Seiten: 21
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: Expertenbegutachtung
 Identifikatoren: DOI: 10.1088/0953-8984/27/11/113204
 Art des Abschluß: -

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Titel: Journal of Physics: Condensed Matter
  Kurztitel : J. Phys.: Condens. Matter
Genre der Quelle: Zeitschrift
 Urheber:
Affiliations:
Ort, Verlag, Ausgabe: Bristol, UK : IOP Publishing
Seiten: - Band / Heft: 27 (11) Artikelnummer: 113204 Start- / Endseite: - Identifikator: ISSN: 0953-8984
CoNE: https://pure.mpg.de/cone/journals/resource/954928562478