Abstract
Nonlinear lattice relaxation of photoexcited diplatinum-halide chain compounds istheoretically investigated within a one-dimensional extended Peierls–Hubbard model. Wefirst illuminate the whole relaxation scenario in terms of variational wavefunctions and thenvisualize each relaxation channel numerically integrating the Schrödinger equation.High-energy excitations above the electron–hole continuum tend to relax into polarons,while excitons pumped within the optical gap, unless luminescent, turn into solitonic statesnonradiatively. Neutral and charged solitons coexist as stable photoproducts,which has never been observed in conventional platinum-halide chains, and theyare highly resonant on the occasion of their birth and geminate recombination.
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