Atomic-scale analysis of the oxygen configuration at a SrTiO3 dislocation core

The atomic structure of a SrTiO3 dislocation is revealed directly by phase-retrieval electron microscopy. In particular, atomic columns of light oxygen are observed simultaneously with the columns of considerably heavier Sr and Ti. A distinct structural modification of the oxygen octahedra at the dislocation core as well as a significant nonstoichiometry, including a deficiency of oxygen, are observed. Deviations from the bulk chemical concentration are quantified column by column by means of structure modeling and quantum-mechanical simulations of the electron scattering process.