Atomic substitutions in YBa2Cu3O7: Modification of the electronic structure Academic Article uri icon


  • We have performed semiempirical tight-binding calculations of the electronic structure of YBa2Cu3O7, with d and s orbitals included for all the metal atoms and p and s orbitals for the oxygen. Here we report studies of the following atomic substitutions: Al, Fe, Co, Ni, and Zn replacing Cu; Sr and La replacing Ba; Tl, Pb, and Bi replacing Y; and F and N replacing O. In each case, the modification of the local densities of states, the atomic valences, and the Fermi energy were calculated. © 1988 The American Physical Society.

author list (cited authors)

  • Richert, B. A., & Allen, R. E.

citation count

  • 22

publication date

  • May 1988