Journal Article

PUBDB-2016-03108

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Exciton dispersion in molecular solids

Cudazzo, P. ; Sottile, F. ; Rubio, A.CFEL*MPG* ; Gatti, M. (Corresponding author)

2015
IOP Publ. Bristol

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Please use a persistent id in citations: doi:10.1088/0953-8984/27/11/113204

Abstract: The investigation of the exciton dispersion (i.e. the exciton energy dependence as a function ofthe momentum carried by the electron–hole pair) is a powerful approach to identify the excitoncharacter, ranging from the strongly localised Frenkel to the delocalised Wannier–Mottlimiting cases. We illustrate this possibility at the example of four prototypical molecularsolids (picene, pentacene, tetracene and coronene) on the basis of the parameter-free solutionof the many-body Bethe–Salpeter equation. We discuss the mixing between Frenkel andcharge-transfer excitons and the origin of their Davydov splitting in the framework ofmany-body perturbation theory and establish a link with model approaches based on molecularstates. Finally, we show how the interplay between the electronic band dispersion and theexchange electron–hole interaction plays a fundamental role in setting the nature of theexciton. This analysis has a general validity holding also for other systems in which theelectron wavefunctions are strongly localized, as in strongly correlated insulators.

Note: (c) IOP Publishing Ltd. Post referee full text in progress.

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Contributing Institute(s):

1. Forschungsgruppe für strukturelle Dynamik (MPSD)

Research Program(s):

1. 899 - ohne Topic (POF3-899) (POF3-899)
2. DYNAMO - Dynamical processes in open quantum systems: pushing the frontiers of theoretical spectroscopy (267374) (267374)
3. CRONOS - Time dynamics and ContROl in naNOStructures for magnetic recording and energy applications (280879) (280879)

Experiment(s):

1. No specific instrument

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Database coverage:
; Current Contents - Physical, Chemical and Earth Sciences ; IF < 5 ; JCR ; NCBI Molecular Biology Database ; National-Konsortium ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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