The influence of A- And B-cation substitution on electronic structure of SrFeO3 and SrCoO3

I. I. Gainutdinov, A. P. Nemudry, I. L. Zilberberg

Research output: Contribution to journalConference articlepeer-review

1 Citation (Scopus)

Abstract

Oxides with perovskite structure SrFeO3 and SrCoO3 are ancestors of wide range of technologically important substances, used as oxide ionic conductors. Previously we use the substitution of the cations in the B positions by high-charge ions Mo6+ W6+ Ta5+ Nb5+ to modify the properties of this class of oxygen-deficient oxides. Doping with these elements suppressed phase transitions in oxides based on cobalt-ferrite strontium-barium, reduced the size of nanodomains and rise chemical and structure stability of these oxides. Now we performed the theoretical study of the influence of A- and B-substitution on electronic structure of SrFeO3 and SrCoO3 in the order to clarify how the doping by high-charge cations affects the properties and electronic structure of oxides.

Original languageEnglish
Pages (from-to)21-24
Number of pages4
JournalMaterials Today: Proceedings
Volume12
DOIs
Publication statusPublished - 2019
Externally publishedYes
Event5th International Conference on Fundamental Bases of Mechanochemical Technologies, FBMT 2018 - Novosibirsk, Russian Federation
Duration: 25 Jun 201828 Jun 2018

Keywords

  • Density functional theory
  • Electronic structure
  • Oxides
  • Perovskites
  • perovskites
  • OXYGEN PERMEABILITY
  • oxides
  • STABILITY
  • density functional theory
  • electronic structure
  • ELECTROCHEMICAL REDOX REACTIONS

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