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
Solid State Effects on Exciton States and Optical Properties of PPV / Ruini, Alice; Bussi, Giovanni; Molinari, Elisa; Caldas, Marilia J. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - STAMPA. - 88:20(2002), pp. 206403/1-206403/4. [10.1103/PhysRevLett.88.206403]
Solid State Effects on Exciton States and Optical Properties of PPV
RUINI, Alice;BUSSI, Giovanni;MOLINARI, Elisa;
2002
Abstract
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 filmsFile | Dimensione | Formato | |
---|---|---|---|
ruin+02prl.pdf
Accesso riservato
Tipologia:
Versione pubblicata dall'editore
Dimensione
179.44 kB
Formato
Adobe PDF
|
179.44 kB | Adobe PDF | Visualizza/Apri Richiedi una copia |
Pubblicazioni consigliate
I metadati presenti in IRIS UNIMORE sono rilasciati con licenza Creative Commons CC0 1.0 Universal, mentre i file delle pubblicazioni sono rilasciati con licenza Attribuzione 4.0 Internazionale (CC BY 4.0), salvo diversa indicazione.
In caso di violazione di copyright, contattare Supporto Iris