Electron-phonon coupling and properties of doped BaBiO3.

Meregalli V., Savrasov S.Y.

Density functional calculations based on local density approximation (LDA) of the properties of doped barium bismuthates are reported. Using a linear-response approach within the linear-muffin-tin-orbital method the phonon spectrum of Ba0.6K0.4BiO3 is calculated. The electron-phonon coupling constant lambda is then evaluated for a grid of phonon wavevectors using the self-consistent change in the potential due to phonon distortion. Anharmonic contributions to lambda from the tilting of oxygen octahedra are also evaluated on the basis of the frozen-phonon approach.

Journal of Superconductivity, 12 185-7, 1999.

Max-Planck Institut für Festkörperforschung;
Postfach 80 06 65   D-70506 Stuttgart