Advanced Materials

Ferroelectricity: Octahedral Rotation-Induced Ferroelectricity in Cation Ordered Perovskites (Adv. Mater. 15/2012)

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.

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Abstract

Ferroelectric oxides do the twist. On page 1961, J. M. Rondinelli and C. J. Fennie explain how to engineer polar displacements, indicated by the gray arrows in the image, from rotations, a ‘twist-like’ distortion of corner-connected oxygen octahedra that are common to ABO3 perovskite oxides. The first-principles calculations reveal that layered A-site ordering, seen by the alternating gold and magenta spheres forming an atomic-scale superlattice, allows the octahedral rotations to induce ferroelectricity. Simple guidelines are outlined to realize these materials, creating a new route to ferroelectrics by design.

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