Polaron dynamics in highly ordered molecular crystals
2006 (English)In: Chemical Physics Letters, ISSN 0009-2614, Vol. 428, no 4-6, 446-450 p.Article in journal (Refereed) Published
From a numerical solution of the time-dependent Schrödinger equation and the lattice equation of motion we obtain a microscopic picture of polaron transport in highly ordered molecular crystals in the presence of an external electric field. We have chosen the pentacene single crystal as a model system, but study the transport as a function of the intermolecular interaction strength, J. We observe a smooth transition from a nonadiabatic to an adiabatic polaronic drift process over the regime 20 < J < 120 meV. For intermolecular interaction strengths above 120 meV the polaron is no longer stable and the transport becomes band like.
Place, publisher, year, edition, pages
2006. Vol. 428, no 4-6, 446-450 p.
IdentifiersURN: urn:nbn:se:liu:diva-14208DOI: 10.1016/j.cplett.2006.07.042OAI: oai:DiVA.org:liu-14208DiVA: diva2:22898