Nonlinear lattice relaxation of photoexcited diplatinum-halide chain compounds

Physics – Condensed Matter – Strongly Correlated Electrons

Scientific paper

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8 pages, 8 figures

Scientific paper

10.1103/PhysRevB.73.045122

In order to reveal the relaxation mechanism of photogenerated charge-transfer excitations in quasi-one-dimensional halogen-bridged diplatinum complexes, we calculate the low-lying adiabatic potential energy surfaces of a one-dimensional extended Peierls-Hubbard model. High-energy excitations above the electron-hole continuum may relax into polarons, while excitons pumped within the optical gap are self-localized and then either decay by luminescence or divide into solitons. Neutral solitons, charged solitons, and polarons may be simultaneously photogenerated in a diplatinum-halide chain, which has never been observed in any conventional platinum-halide chain. Optical conductivity is also simulated along the decay paths for experimental verification.

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