Published online by Cambridge University Press: 28 February 2011
The band structures of YBa2Cu307 superconductors in which one of the Cu atoms was replaced by Ga or Zn have been studied by the first‐principles orthogonalized LCAO method. Substitutions involving Cu on the chain site and Cu on the plane site were investigated. Results show significant modifications in the electronic structure due to the dopant‐specific and site‐specific substitutions. These results are discussed in light of some recent experimental observations.