Octahedral rotation-induced ferroelectricity in cation ordered perovskites

James M. Rondinelli*, Craig J. Fennie

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

221 Scopus citations

Abstract

Electronic structure calculations based on density functional theory have uncovered a novel mechanism for inducing ferroelectric polarizations in cation ordered perovskites. We outline a materials selection strategy for designing this behavior. The guidelines are based on the octahedral rotations found in the two constituent oxides and the way the perovskite building blocks are interwoven to form the superlattice.

Original languageEnglish (US)
Pages (from-to)1961-1968
Number of pages8
JournalAdvanced Materials
Volume24
Issue number15
DOIs
StatePublished - Apr 17 2012

Keywords

  • cation order
  • density functional theory
  • ferroelectricity
  • perovskites
  • superlattices

ASJC Scopus subject areas

  • Materials Science(all)
  • Mechanics of Materials
  • Mechanical Engineering

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