Pregled bibliografske jedinice broj: 1008969
Peierls and Holstein carrier-phonon coupling in crystalline rubrene
Peierls and Holstein carrier-phonon coupling in crystalline rubrene // Physical Review B, 82 (2010), 3; 035208, 8 doi:10.1103/physrevb.82.035208 (međunarodna recenzija, članak, znanstveni)
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Naslov
Peierls and Holstein carrier-phonon coupling in crystalline rubrene
Autori
Girlando, Alberto ; Grisanti, Luca ; Masino, Matteo ; Bilotti, Ivano ; Brillante, Aldo ; Della Valle, Raffaele G. ; Venuti, Elisabetta
Izvornik
Physical Review B (1098-0121) 82
(2010), 3;
035208, 8
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
polaron ; molecular materials ; rubrene
Sažetak
A computational protocol for the calculation of local (Holstein) and nonlocal (Peierls) carrier-phonon coupling in molecular organic semiconductors is presented and applied to orthorhombic rubrene (5, 6, 11, 12-tetraphenyltetracene). In the phonon description, the rigid molecule approximation is removed, allowing mixing of low-frequency intramolecular modes with intermolecular (lattice) phonons. Notwithstanding, a rather clear distinction remains between the low-frequency phonons, which essentially modulate the transfer integral from a molecule to another (Peierls coupling), and the high-frequency, fully intramolecular phonons, which modulate the on-site energy (Holstein coupling). The implications for the current models of mobility are shortly discussed.
Izvorni jezik
Engleski
Znanstvena područja
Fizika, Kemija
Citiraj ovu publikaciju:
Časopis indeksira:
- Current Contents Connect (CCC)
- Web of Science Core Collection (WoSCC)
- Science Citation Index Expanded (SCI-EXP)
- SCI-EXP, SSCI i/ili A&HCI
- Scopus
