Abstract

We investigated theoretically the electronic and optical properties of the mixed halogen-bridged-mixed-valence-transition-metal (MX) linear chain compounds PtI x Cl 1-x . Similar to our earlier results for PtBr x Cl 1-x [1], PtI 2 Cl 1-x exhibits a segment length dependence of optical Raman spectra, but shows a different quantitative behavior. The competition between the PtI segment length and its characteristic coherence length, coupled with electron-lattice coupling results in the initial increase and then decrease of PtI Raman segment frequency as a function of its segment length. The PtI segment Raman modes and their accompanying PtCl modes have good agreement with the experimental data. A possible novel charge separation effect associated with photo-excitation (e.g. exciton) is discussed

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