The electronic properties of SrTiO_3-δ with oxygen vacancies or substitutions.

ABSTRACT: The electronic properties, including bandgap and conductivity, are critical for nearly all applications of multifunctional perovskite oxide ferroelectrics. Here we analysed possibility to induce semiconductor behaviour in these materials, which are basically insulators, by replacement of several percent of oxygen atoms with nitrogen, hydrogen, or vacancies. We explored this approach for one of the best studied members of the large family of ABO₃ perovskite ferroelectrics - strontium titanate (SrTiO₃). The atomic and electronic structure of defects were theoretically investigated using the large-scale first-principles calculations for both bulk crystal and thin films. The results of calculations were experimentally verified by studies of the optical properties at photo

SUBMITTER: Rusevich LL 

PROVIDER: S-EPMC8639995 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature