Abstract
Spectral shapes of optical absorption in halogen-bridged mixed-valent metal complexes (HMMC) are numerically determined, using a one-dimensional extended Peierls-Hubbard model. As the first work, two important effects beyond the mean field (MF) theory are taken into account: the electron-hole (e-h) correlation on the metal atoms, and the classical fluctuation of the halogen sublattice. It is shown that the exciton strongly affects the spectral shape. When the e-h binding is weak, the spectrum is the mixture of the exciton absorption and the interband ones. When it is strong, on the other hand, the exciton dominates over all the absorption, and the spectrum becomes very close to a Lorentzian on the higher energy side of the peak. The temperature dependence is also analyzed and these results are compared with the experiments.
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