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Optical properties of one‐dimensional graphene polymers: the case of polyphenanthrene
Author(s) -
Prezzi D.,
Varsano D.,
Ruini A.,
Marini A.,
Molinari E.
Publication year - 2007
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200776132
Subject(s) - exciton , quasiparticle , graphene , curse of dimensionality , luminescence , polyene , inclusion (mineral) , characterization (materials science) , polymer , materials science , optoelectronics , condensed matter physics , chemical physics , physics , molecular physics , chemistry , nanotechnology , nuclear magnetic resonance , computer science , superconductivity , organic chemistry , machine learning , thermodynamics
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 1D 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. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)