Abstract

We consider a two-band discrete tight-binding Peierls-Hubbard model for an isolated chain of a halogen-bridged, mixed-valence, tranition metal linear chain complex (MX chain). We investigate various inttrinsic excitations - kinks, polarons, bipolarons - and their corresponding optical absorption features as functions of the model parameters. The systematic of going from the strongly distorted charge-density-wave limit to the undistorted spin-density-wave limit probed and compated to the experimental variation in the PtCl/PtBr/PtI and the PtBr/PdBr/NiBr series.

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