Self-Trapping in Mixed Crystal--Clustering, Dimensionality, Percolation

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  • Self-Trapping in Mixed Crystal —Clustering, Dimensionality, Percolation—
  • Self Trapping in Mixed Crystal Clusteri

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Self-trapping of a Frenkel exciton in binary mixed crystal AcB1−c, with excitation energy difference Δ=εB−εA and exciton-phonon coupling constant g, is studied. Impurity-assisted self-trapping is possible through cooperation of Δ and g even when neither of them alone is enough for localization. In this situation, one expects amalgamated absorption spectrum representing unrelaxed extended exciton and Stokes-shifted broad emission band representing relaxed localized exciton. We study whether relaxed exciton is localized (S-state) at a particular site of, or extended (B-state) throughout, the A-cluster of various sizes, and how such cluster state changes, as c increases, into free (F) state extended throughout the crystal. The results are compared with recent experiments on TlBrcCl1−c. Sudden appearance of edge emission (due to F) at c∼0.3, at the cost of broad band (due to S and B), is ascribed to the combined effect of size-dependent discontinuity of S-B transition in Br-clusters and their percolation.

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