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Octahedral Rotation-Induced Ferroelectricity in Cation Ordered Perovskites

  1. James M. Rondinelli1,*,
  2. Craig J. Fennie2,*

Article first published online: 10 APR 2012

DOI: 10.1002/adma.201104674

Issue

Advanced Materials

Advanced Materials

Volume 24, Issue 15, pages 1961–1968, April 17, 2012

Additional Information

How to Cite

Rondinelli, J. M. and Fennie, C. J. (2012), Octahedral Rotation-Induced Ferroelectricity in Cation Ordered Perovskites. Adv. Mater., 24: 1961–1968. doi: 10.1002/adma.201104674

Author Information

  1. 1

    Department of Materials Science & Engineering, Drexel University, Philadelphia, Pennsylvania 19104, USA

  2. 2

    School of Applied & Engineering Physics, Cornell University, Ithaca, New York 14853, USA

*Department of Materials Science & Engineering, Drexel University, Philadelphia, Pennsylvania 19104, USA

Publication History

  1. Issue published online: 10 APR 2012
  2. Article first published online: 10 APR 2012
  3. Manuscript Received: 7 DEC 2011

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Keywords:

  • perovskites;
  • ferroelectricity;
  • cation order;
  • superlattices;
  • density functional theory
Thumbnail image of graphical 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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