Role of O defects at the BiMnO3/SrTiO3 interface

J. Jilili, Fabrizio Cossu, Udo Schwingenschloegl

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

We use first principles calculations to study ideal and O deficient BiMnO3/SrTiO3 superlattices. The ideal superlattice is characterized by parallel alignment of the Mn and Ti magnetic moments at the n-interface, while an antiparallel alignment has been reported experimentally. O defects at the n-interface are found to favor the MnO2 and BiO layers over the TiO2 layer. The band gap of the superlattice is strongly reduced when the MnO2 layer is O deficient and states are observed at the Fermi energy when the BiO layer is O deficient. Only in the latter case the Mn and Ti magnetic moments at the n-interface align antiparallel. Therefore, O defects in the BiO layer turn out to be essential for reproducing the experimental interface magnetism and for understanding its mechanism.

Original languageEnglish (US)
Article number083027
JournalNew Journal of Physics
Volume18
Issue number8
DOIs
StatePublished - Aug 1 2016

Keywords

  • Heterostructure
  • Interface
  • Magnetism

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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