Polaron stability in molecular crystals
2012 (English)In: Physics Letters A, ISSN 0375-9601, Vol. 376, no 22, 1807-1811 p.Article in journal (Refereed) Published
A semi-empirical Peierls-Holstein model is applied to studies of the stability of polarons in two-dimensional molecular crystal systems. Calculations for a broad range of intra- and inter-molecular parameters within this model were performed in order to obtain detailed knowledge concerning the stability of the polaron solution with respect to a rigid lattice band solution. For realistic values of the parameters the polaron solution is stable with a polaron energy in the range 50-100 meV. A metastable polaron solution is also identified. The polarons that result from our model are highly localized and it is questionable if adiabatic polaron transport can occur in the system.
Place, publisher, year, edition, pages
Elsevier , 2012. Vol. 376, no 22, 1807-1811 p.
National CategoryEngineering and Technology
IdentifiersURN: urn:nbn:se:liu:diva-78584DOI: 10.1016/j.physleta.2012.04.007ISI: 000304338100010OAI: oai:DiVA.org:liu-78584DiVA: diva2:534144
Funding Agencies|Swedish Research Council (VR)||2012-06-152012-06-152013-01-30