Electronic structure of high Tc oxide superconductors

The electronic structure of cluster prototypes of the new oxide superconductors in the La-Ba-Cu-O and Y-Ba-Cu-O systems has been studied using the self-consistent field Xα molecular orbital (SCF-Xα-MO) cluster technique. These calculations yield densities of states (DOS) in good qualitative agreement with recent band structure calculations while also revealing important features of real space wavefunction topologies at the Fermi level. Orbital bonding features are used within the Johnson-Messmer formalism to calculate superconducting transition temperatures, which are in good agreement with experiment