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.
Optical properties of one-dimensional graphene polymers: the case of polyphenanthrene / D., Prezzi; Varsano, Daniele; A., Ruini; A., Marini; E., Molinari. - In: PHYSICA STATUS SOLIDI B-BASIC RESEARCH. - ISSN 0370-1972. - STAMPA. - 244:11(2007), pp. 4124-4128. (Intervento presentato al convegno 21st International Winterschool on Electronic Properties of Novel Materials tenutosi a Kirchberg, AUSTRIA nel MAR 10-17, 2007) [10.1002/pssb.200776132].
Optical properties of one-dimensional graphene polymers: the case of polyphenanthrene
VARSANO, DANIELE;
2007
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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
