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Theoretical Studies of Oxygen Vacancies in YBa2Cu3O7-y

Published online by Cambridge University Press:  28 February 2011

Brent A. Richert  and
Roland E. Allen
Brent A. Richert
Affiliation:
Center for Theoretical Physics, Department of Physics, Texas A&M University, College Station, Texas 77843
Roland E. Allen
Affiliation:
Center for Theoretical Physics, Department of Physics, Texas A&M University, College Station, Texas 77843
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Abstract

We 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 ρ(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, ρ(EF)is found to decrease with y.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 99: Symposium AA – High-Temperature Superconductors , 1987 , 463
Copyright
Copyright © Materials Research Society 1988

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References

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