Abstract

Abstract The oxidation of YBa2Cu3O6+y for 0.2 < y< 1 is described by an equilibrium reaction that involves the filling of vacancies in the reference structure YBa2Cu3O7, and the creation of two hole species per added oxygen. The oxygen content as a function of temperature and oxygen partial pressure is accurately fit by a simple mass-action treatment of the oxidation reaction. The mass-action constants are independent of composition and are thermally activated with a single enthalpy of oxidation of −0.99 eV. The constancy of the thermodynamic parameters across this broad compositional range suggests that there is a considerable amount of order in what has been generally considered to be a disordered tetragonal structure.

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