Time-dependent oxygen ordering and its effect on Tc in off-stoichiometric YBa2Cu3Oz

Abstract
The increase in Tc recently observed by Veal et al. and Jorgensen et al. during room-temperature aging of quenched YBa2 Cu3 Oz samples is explained by studying the microscopic changes that take place in a simulated aging experiment. Monte Carlo simulation shows that the threefold coordinations of oxygen around Cu in the basal plane are converted into twofold and threefold coordinations during room-temperature aging. The hole doping induced by this conversion results in the increase in Tc. Both tetragonal-orthorhombic ordering and additional superstructure ordering are responsible for the observed changes in Cu coordinations. It is shown that aging of samples with high oxygen content will not significantly increase Tc.