Electronic structure of Y-Ba-Cu oxides and fluorides

Abstract
The authors have calculated the electronic structure of the superconducting YBa2Cu3O7 and the non-superconducting YBa2Cu3O6 compounds. They find that on reducing the oxygen content the Cu in the O-Cu-O linear chains becomes insulating. They have also studied some hypothetical YBa2Cu3F2O6 systems to examine the effect of fluorine on the Cu-O5 pyramids and the O-Cu-O chains.