Polaron and Bipolaron Defects in a Charge Density Wave: a Model for Lightly Doped BaBiO3

BaBiO3 is a prototype ``charge ordering system'' forming interpenetrating sublattices with nominal valence Bi(3+) and Bi(5+). It can also be regarded as a three-dimensional version of a Peierls insulator, the insulating gap being a consequence of an ordered distortion of oxygen atoms. When holes are added to BaBiO3 by doping, it remains insulating until a very large hole concentration is reached, at which point it becomes superconducting. The mechanism for insulating behavior of more lightly-doped samples is formation of small polarons or bipolarons. These are self-organized point defects in the Peierls order parameter, which trap carriers in bound states inside the Peierls gap. We calculate properties of the polarons and bipolarons using the Rice-Sneddon model. Bipolarons are the stable defect; the missing pair of electrons come from an empty midgap state built from the lower Peierls band. Each bipolaron distortion also pulls down six localized states below the bottom of the unoccupied upper Peierls band. The activation energy for bipolaron hopping is estimated.Comment: 9 pages with 8 embedded figures. See also cond-mat/0108089, a paper of 5 pages on the related topic of self-trapped excitons in BaBiO

Phonon `notches' in a-b -plane optical conductivity of high-Tc superconductors

It is shown that a correlation between the positions of the $c$-axis longitudinal optic ($LO_c$) phonons and ``notch''-like structures in the $a$-$b$ plane conductivity of high-$T_c$ superconductors results from phonon-mediated interaction between electrons in different layers. It is found that the relative size of the notches depends on $\lambda_{ph}(\Omega_{ph}/\gamma_{ph})$, where $\lambda_{ph}$, $\Omega_{ph}$ and $\gamma_{ph}$ are the effective coupling strength, the frequency and the width of the optical phonon which is responsible for the notch. Even for $\lambda_{ph}\approx 0.01$ the effect can be large if the phonon is very sharp.Comment: 5 pages, REVTeX, 4 uuencoded figure

Topological (Sliced) Doping of a 3D Peierls System: Predicted Structure of Doped BaBiO3

At hole concentrations below x=0.4, Ba_(1-x)K_xBiO_3 is non-metallic. At x=0, pure BaBiO3 is a Peierls insulator. Very dilute holes create bipolaronic point defects in the Peierls order parameter. Here we find that the Rice-Sneddon version of Peierls theory predicts that more concentrated holes should form stacking faults (two-dimensional topological defects, called slices) in the Peierls order parameter. However, the long-range Coulomb interaction, left out of the Rice-Sneddon model, destabilizes slices in favor of point bipolarons at low concentrations, leaving a window near 30% doping where the sliced state is marginally stable.Comment: 6 pages with 5 embedded postscript figure

Spectral properties of the t-J model in the presence of hole-phonon interaction

We examine the effects of electron-phonon interaction on the dynamics of the charge carriers doped in two-dimensional (2D) Heisenberg antiferromagnet. The $t$-$J$ model Hamiltonian with a Fr\"ohlich term which couples the holes to a dispersionless (optical) phonon mode is considered for low doping concentration. The evolution of the spectral density function, the density of states, and the momentum distribution function of the holes with an increase of the hole-phonon coupling constant $g$ is studied numerically. As the coupling to a phonon mode increases the quasiparticle spectral weight decreases and a ``phonon satellite'' feature close to the quasi-particle peak becomes more pronounced. Furthermore, strong electron-phonon coupling smears the multi-magnon resonances (``string states'') in the incoherent part of the spectral function. The jump in the momentum distribution function at the Fermi surface is reduced without changing the hole pocket volume, thereby providing a numerical verification of Luttinger theorem for this strongly interacting system. The vertex corrections due to electron- phonon interaction are negligible in spite of the fact that the ratio of the phonon frequency to the effective bandwidth is not small.Comment: REVTeX, 20 pages, 9 figures, to be published in Phys. Rev. B (Nov. 1, 1996