NDLI: Simulation of Coherent Dissociation of the Self-Trapped Exciton in Alkali Halides

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Simulation of Coherent Dissociation of the Self-Trapped Exciton in Alkali Halides

Content Provider	Semantic Scholar
Author	Markmann, Andreas Gavartin, Jacob L. Shluger, Alexander L.
Abstract	Halides Andreas Markmann,1 Jacob L. Gavartin,2 and Alexander L. Shluger2 1Theoretische Chemie, Physikalisch-Chemisches Institut, Ruprecht-Karls-Universität Heidelberg, Im Neuenheimer Feld 229, 69 120 Heidelberg, Germany 2Condensed Matter and Materials Physics Group, Dept. of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, Great Britain Abstract One of the best-studied point defect in ionic crystals is the self-trapped exciton in alkali halides. We have used existing theoretical and experimental results to parameterise a generic model potential and performed nuclear quantum dynamics simulations with this model using grid-based wave function propagation techniques. A photoinduced reaction is sought that separates the self-trapped exciton into a pair of point defects. A purely vibrational excitation scheme is excluded due to the difficulty of finding a resonant excitation for the double minimum potential. A control scheme based on purely vibrational excitation would also have a time scale that invites dissipative quenching of the process. However, an electronically excited state can be used to take the wave packet to a dissociative flank of the model potential, thereby separating the exciton into the defect pair. A double-pump, double-dump pulse scheme is proposed to attain a satisfactory yield of separated defect pairs. A pump-dump time delay minimising the population of the barrier area in the two-dimensional potential is proposed to avoid quenching of the process due to non-radiative coupling.
File Format	PDF HTM / HTML
Alternate Webpage(s)	http://ursula.chem.yale.edu/~batista/personal/Andreas/publications/refs/A4-AMarkmannPre-4.pdf
Language	English
Access Restriction	Open
Content Type	Text
Resource Type	Article

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