Electron-Lattice Dynamics in pi-Conjugated Systems
2007 (English)Licentiate thesis, comprehensive summary (Other academic)
In this thesis we explore in particular the dynamics of a special type of quasi-particle in pi-conjugated materials termed polaron, the origin of which is intimately related to the strong interactions between the electronic and the vibrational degrees of freedom within these systems. In order to conduct such studies with the particular focus of each appended paper, we simultaneously solve the time-dependent Schrödinger equation and the lattice equation of motion with a three-dimensional extension of the famous Su-Schrieffer-Heeger (SSH) model Hamiltonian. In particular, we demonstrate in Paper I the applicability of the method to model transport dynamics in molecular crystals in a region were neither band theory nor perturbative treatments such as the Holstein model and extended Marcus theory apply. In Paper II we expand the model Hamiltonian to treat the revolution of phenylene rings around the sigma-bonds and demonstrate the great impact of stochastic ring torsion on the intra-chain mobility in conjugated polymers using poly[phenylene vinylene] (PPV) as a model system. Finally, in Paper III we go beyond the original purpose of the methodology and utilize its great flexibility to study radiationless relaxations of hot excitons.
Place, publisher, year, edition, pages
Linköping: Linköping University Electronic Press , 2007. , 15 p.
Linköping Studies in Science and Technology. Thesis, ISSN 0280-7971 ; 1295
Polaron dynamics, Exciton dynamics, pi-conjugated systems, Su-Schrieffer-Heeger (SSH) model, Adiabaticity, Charge carrier transport, Organic electronics.
Other Physics Topics
IdentifiersURN: urn:nbn:se:liu:diva-7996Local ID: LiU-TEK-LIC-2007:4ISBN: 978-91-85715-90-9OAI: oai:DiVA.org:liu-7996DiVA: diva2:22901
2007-02-09, Planck, Fysikhuset, 13:15 (English)
Onipko, Alexander, Professor
Report code: LiU-TEK-LIC-2007:4.2007-03-062007-03-062009-04-30Bibliographically approved
List of papers