Effect of quantum lattice fluctuations on the optical-absorption spectra of halogen-bridged mixed-valence transition-metal complexes

Abstract

The effect of quantum lattice fluctuations on the optical-absorption spectra in the ground state of halogen-bridged mixed-valence transition-metal linear-chain complexes is studied by using a one-dimensional extended Peierls-Hubbard model. The nonadiabatic effects due to finite phonon frequency $\omega_{\pi}>0$ are treated through an energy-dependent electron-phonon scattering function $\delta(k^{\prime},k)$ introduced by means of an unitary transformation. The calculated optical-absorption spectra do not have the inverse-square-root singularity, but they have a peak above the gap edge and there exists a significant tail below the peak, which are consistent with the optical-absorption coefficient or the optical conductivity measurements of this material.