Theoretical Studies of Oxygen Vacancies in YBa2Cu3O7-y Academic Article uri icon

abstract

  • ABSTRACTWe have performed semiempirical tight-binding calculations of the electronic structure of YBa2Cu3O7, with dand s orbitals included for all the metal atoms and p and sorbitals for oxygen. Here we report studies of oxygen vacancies on the O(1) chain sites in YBa2Cu3O7-y. The modification of the density of states (E) and the shift of the Fermi energy Ep were calculated for 0 < y 1.0. The Fermi energy is found to increase monotonically with y, confirming the expectation that oxygen vacancies act as donors. Also, (EF)is found to decrease with y.

published proceedings

  • MRS Advances

author list (cited authors)

  • Richert, B. A., & Allen, R. E.

citation count

  • 0

publication date

  • January 1987