Solid state effects on exciton states and optical properties of PPV.
We perform ab initio calculations of optical properties for a typical semiconductor conjugated polymer, poly-para-phenylenevinylene, in both isolated chain and crystalline packing. In order to obtain results for excitonic energies and real-space wave functions we explicitly include electron-hole interaction within the density-matrix formalism. We find that the details of crystalline arrangement crucially affect the optical properties, leading to a richer exciton structure and opening nonradiative decay channels. This has implications for the optical activity and optoelectronic applications of polymer films.
Ruini
Alice
A
INFM-S3 and Dipartimento di Fisica, Università di Modena e Reggio Emilia, Via Campi 213a, I-41100 Modena, Italy.
Caldas
Marilia J
MJ
Bussi
Giovanni
G
Molinari
Elisa
E