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Optical properties of one-dimensional graphene polymers: the case of polyphenanthrene (Articolo in rivista)

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Optical properties of one-dimensional graphene polymers: the case of polyphenanthrene (Articolo in rivista) (literal)

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Prezzi, D; Varsano, D; Ruini, A; Marini, A; Molinari, E (2007)
Optical properties of one-dimensional graphene polymers: the case of polyphenanthrene
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Natl Res Ctr S3, INFM CNR, I-41100 Modena, Italy; Univ Modena, Dipartimento Fis, I-41100 Modena, Italy; Univ Roma Tor Vergata, Dipartimento Fis, I-0133 Rome, Italy (literal)

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Optical properties of one-dimensional graphene polymers: the case of polyphenanthrene (literal)

Abstract

We investigate from first principles the effect of many-body corrections on the optoelectronic properties of polyphenanthrene (PPh), a prototype system for carbon-based ladder polymers and I D nanographenes with cis-polyene edges. We show that the inclusion of many-body effects is essential to correctly describe both quasiparticle bandstructure and optical response. Consistently with the reduced dimensionality of the system, the inclusion of electron-hole interaction leads to strongly bound excitons which dominate the spectra. A complete characterization of the low-energy excitonic states is carried out, together with their optical activity. In particular, we find a dark exciton below the first optically active one, which is expected to crucially affect the luminescence efficiency. (c) 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. (literal)

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