Abstract
Based on symmetry arguments and supported by electronic structure calculations, we show that an important possible antiferromagnetic state of Cu planes has the moments on the O, rather than the Cu, sites. This and other proposed "broken-symmetry" orderings are a direct result of correlation effects and argue for holes on oxygen. In addition, calculations of the core-level shift between Cu and the extreme doping limit of Cu show that the Cu charge state remains unchanged. These results should have important implications for the symmetry of models of the high- copper oxide superconductors.
- Received 11 March 1988
DOI:https://doi.org/10.1103/PhysRevB.39.835
©1989 American Physical Society