Abstract
Transient lattice relaxation in the self-trapping processes of excitons has been studied by molecular dynamics, employing a one-dimensional two-band model coupled with lattice vibrations. We have found that the initial relaxation of an exciton is composed of three processes. Due to the first process in which an exciton remains free preceding the lattice relaxation, the relaxation time for the transition from a free exciton to a self-trapped exciton has been found to be several times larger than the period of the lattice vibrations, which agreed with the experimental results of ultrafast spectroscopy on polydiacetylenes.
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