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Ferroelectricity: Octahedral Rotation‐Induced Ferroelectricity in Cation Ordered Perovskites (Adv. Mater. 15/2012)
Author(s) -
Rondinelli James M.,
Fennie Craig J.
Publication year - 2012
Publication title -
advanced materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 10.707
H-Index - 527
eISSN - 1521-4095
pISSN - 0935-9648
DOI - 10.1002/adma.201290086
Subject(s) - ferroelectricity , materials science , octahedron , superlattice , crystallography , rotation (mathematics) , condensed matter physics , perovskite (structure) , twist , nanotechnology , crystal structure , geometry , physics , optoelectronics , chemistry , mathematics , dielectric
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.