Conductivity of CuO3_3-Chains: Disorder versus Electron-Phonon Coupling

The optical conductivity of the CuO$_3$-chains, a subsystem of the 1-2-3 materials, is dominated by a broad peak in the mid-infrared ($\omega \approx 0.2$eV), and a slowly falling high-frequency tail. The 1D $t$-$J$-model is proposed as the relevant low-energy Hamiltonian describing the intrinsic electronic structure of the CuO$_3$-chains. However, due to charge-spin decoupling, this model alone cannot reproduce the observed \sw. We consider two additional scattering mechanisms: (i) Disregarding the not so crucial spin degrees of freedom, the inclusion of strong potential disorder yields excellent agreement with experiment, but suffers from the unreasonable value of the disorder strength necessary for the fit. (ii) Moderately strong polaronic electron-phonon coupling to the mode involving Cu(1)-O(4) stretching, can be modeled within a 1D Holstein Hamiltonian of spinless fermions. Using a variational approximation for the phonon Hilbert space, we diagonalize the Hamiltonian exactly on finite lattices. As a result of the experimental hole density $\approx 1/2$, the chains can exhibit strong charge-density-wave (CDW) correlations, driven by phonon-mediated polaron-polaron interactions. In the vicinity of half filling, charge motion is identified as arising from moving domain walls, \ie defects in the CDW. Incorporating the effect of vacancy disorder by choosing open boundary conditions, good agreement with the experimental spectra is found. In particular, a high-frequency tail arises as a consequence of the polaron-polaron interactions.Comment: 42 pages, ETH-TH/93-31 (Postscript