Surface and interface effects in oxygen-deficient SrMnO₃ thin films grown on SrTiO₃.

ABSTRACT: Complex oxide functionality, such as ferroelectricity, magnetism or superconductivity is often achieved in epitaxial thin-film geometries. Oxygen vacancies tend to be the dominant type of defect in these materials but a fundamental understanding of their stability and electronic structure has so far mostly been established in the bulk or strained bulk, neglecting interfaces and surfaces present in a thin-film geometry. We investigate here, via density functional theory calculations, oxygen vacancies in the model system of a SrMnO₃ (SMO) thin film grown on a SrTiO₃ (STO) (001) substrate. Structural and electronic differences compared to bulk SMO result mainly from undercoordination at the film surface. The changed crystal field leads to a depletion of subsurface

SUBMITTER: Kaviani M 

PROVIDER: S-EPMC8827045 | biostudies-literature | 2022 Feb

REPOSITORIES: biostudies-literature