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Advanced Materials

Octahedral Rotation-Induced Ferroelectricity in Cation Ordered Perovskites

Authors

  • James M. Rondinelli,

    Corresponding author
    1. Department of Materials Science & Engineering, Drexel University, Philadelphia, Pennsylvania 19104, USA
    • James M. Rondinelli, Department of Materials Science & Engineering, Drexel University, Philadelphia, Pennsylvania 19104, USA

      Craig J. Fennie, School of Applied & Engineering Physics, Cornell University, Ithaca, New York 14853, USA.

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  • Craig J. Fennie

    Corresponding author
    1. School of Applied & Engineering Physics, Cornell University, Ithaca, New York 14853, USA
    • James M. Rondinelli, Department of Materials Science & Engineering, Drexel University, Philadelphia, Pennsylvania 19104, USA

      Craig J. Fennie, School of Applied & Engineering Physics, Cornell University, Ithaca, New York 14853, USA.

    Search for more papers by this author

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.

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