Grain boundaries in complex oxides

Abstract

A quantitative comparison was achieved between space charge theory and segregation at grain boundaries in the model system TiO[sub 2]. The ionic space charge can be titrated from negative to positive potential. A space charge model was developed that includes the lattice defect chemistry. Defect formation energies in the Frenkel pair for TiO[sub 2] were studied. Grain boundary enthalpy was measured during coarsening. It was shown that it is the barium vacancy that forms near surfaces in donor-doped BaTiO[sub 3] electroceramics during oxidative-cooling.