A-site cation ordering in AA′BB′O6 perovskites

Knapp, M.; Woodward, Patrick M.

doi:10.1016/j.jssc.2006.01.005

Cited by 244 publications

(235 citation statements)

References 49 publications

(49 reference statements)

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“…This was anticipated from the earlier work of Woodward and co-workers [43][44][45]. In this section, we discuss the discovery of octahedral rotation-induced ferroelectricity in several different materials.…”

Section: Hybrid Improper Ferroelectricitymentioning

confidence: 66%

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Polar octahedral rotations: A path to new multifunctional materials

Benedek

Mulder

Fennie

2012

Journal of Solid State Chemistry

229

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Perovskite ABO 3 oxides display an amazing variety of phenomena that can be altered by subtle changes in the chemistry and internal structure, making them a favorite class of materials to explore the rational design of novel properties. Here we highlight a recent advance in which rotations of the BO 6 octahedra give rise to a novel form of ferroelectricity -hybrid improper ferroelectricity. Octahedral rotations also strongly influence other structural, magnetic, orbital, and electronic degrees of freedom in perovskites and related materials. Octahedral rotation-driven ferroelectricity consequently has the potential to robustly control emergent phenomena with an applied electric field. The concept of 'functional' octahedral rotations is introduced and the challenges for materials chemistry and the possibilities for new rotationdriven phenomena in multifunctional materials are explored.

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Section: Hybrid Improper Ferroelectricitymentioning

confidence: 66%

“…Fukushima, et al, showed that the main distortions contributing to the structure of the polar P 2 1 phase of the double perovskite NaLaMnWO 6 [43] are a pair of MnO 6 and WO 6 octahedral rotation modes. …”

Section: Other Examples Of Rotation-driven Ferroelectricsmentioning

confidence: 99%

Polar octahedral rotations: A path to new multifunctional materials

Benedek

Mulder

Fennie

2012

Journal of Solid State Chemistry

229

241

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“…In the few known examples the order involves a ͑001͒ layering of the AЈ and AЉ cations. 1,2 The ordered A-site ͑AЈAЉ͒BO 3 perovskites have received increased attention following the observation of unusual periodic nanoscale phase separation in solid solutions of the lithium ion conducting ͑Nd 2/3−x Li 3x ͒TiO 3 system. 3 The tunable superlattice consists of diamondlike domains of the Lirich end-member ͑NdLiTi 2 O 6 ͒ separated by Li-free regions of Nd 4/3 Ti 2 O 6 .…”

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confidence: 99%

Nanocheckerboard modulations in (NaNd)(MgW)O6

Licurse

Davies

2010

Applied Physics Letters

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Data is presented for a complex structural and compositional modulation in the perovskite (NaNd)(MgW)O6. This modulation creates a large 14ap×14ap×2ap supercell (ap≈3.9 Å is the lattice parameter of the cubic perovskite aristotype) containing ordered regions with doubled (110) d-spacings in the a-b plane separated by two-dimensional periodic antiphase boundaries and accompanied by a nanocheckerboard pattern. Faint periodic modulations in Z-contrast images suggest an associated periodic variation in composition. The presence of a sodium rich impurity implies the composition of the stable perovskite is nonstoichiometric.

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“…Attempts to refine this model against the data were unsuccessful as strong diffraction features predicted by the model were not observed in the data (χ 2~8 . 5). An additional model in which the twisting of the octahedra around the z-axis is disordered (space group Amam) was also considered and refined against the data.…”

Section: Structural Refinement Of Lamentioning

confidence: 99%

“…Unfortunately, the reciprocal nature of the collective rotations of the apex-linked BO 6 units in perovskite frameworks means that in a material in which the BO 6 units are continuously linked in all three dimensions, inversion symmetry can only be broken by these rotations if they are combined with A-site or B-site cation order. [4][5][6][7] The requirement to control both the cation order and the collective tilting and twisting distortions of perovskite phases significantly increases the synthetic difficulty of preparing non-centrosymmetric (NCS) materials. Fortunately, some relief can be found in the recent theoretical and experimental observations that inversion symmetry can be broken in the layered variants of the perovskite structure by the collective rotations of the constituent BO 6 octahedra alone, without the need for cation order.…”

Section: Introductionmentioning

confidence: 99%

La₂SrCr₂O₇: Controlling the Tilting Distortions of n = 2 Ruddlesden–Popper Phases through A-Site Cation Order

et al. 2016

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Publisher's copyright statement:This document is the Accepted Manuscript version of a Published Work that appeared in nal form in Inorganic chemistry, copyright c American Chemical Society after peer review and technical editing by the publisher. To access the nal edited and published work see https://doi.org/10.1021/acs.inorgchem.6b01445. Additional information:Use policyThe full-text may be used and/or reproduced, and given to third parties in any format or medium, without prior permission or charge, for personal research or study, educational, or not-for-pro t purposes provided that:• a full bibliographic reference is made to the original source • a link is made to the metadata record in DRO • the full-text is not changed in any way The full-text must not be sold in any format or medium without the formal permission of the copyright holders.Please consult the full DRO policy for further details. IntroductionThe ABO 3 perovskite structure is adopted by complex metal oxide phases with a very wide variety of chemical compositions. Indeed it is possible to incorporate all the transition metals within perovskite frameworks, many of them in a number of different oxidations states. The ubiquity and chemical diversity of perovskite oxide phases primarily arises from the intrinsic thermodynamic stability imparted by the close packed nature of the structure (the framework can be thought of as being derived from a cubic close packed lattice). However, unlike many other structure types derived from close-packed arrangements, the perovskite structure can form thermodynamically stable phases incorporating combinations of A-and B-cations with a large range of radius ratios, due to the mechanical flexibility imparted into perovskite frameworks by the facile collective rotations of the constituent, apex-linked, BO 6 octahedra.In addition to imbuing the perovskite framework with mechanical flexibility, the tilting and twisting distortions of perovskite oxide phases can have a large influence on their physical properties. This can be seen most directly by observing that these facile collective distortions typically lead to changes (tightening) of the B-O-B bond angles between linked BO 6 octahedra, while leaving the internal coordinates of the BO 6 units largely unchanged. As a result the distor-

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A-site cation ordering in AA′BB′O6 perovskites

Cited by 244 publications

References 49 publications

Polar octahedral rotations: A path to new multifunctional materials

Polar octahedral rotations: A path to new multifunctional materials

Nanocheckerboard modulations in (NaNd)(MgW)O6

La₂SrCr₂O₇: Controlling the Tilting Distortions of n = 2 Ruddlesden–Popper Phases through A-Site Cation Order

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A-site cation ordering in AA′BB′O6 perovskites

Cited by 244 publications

References 49 publications

Polar octahedral rotations: A path to new multifunctional materials

Polar octahedral rotations: A path to new multifunctional materials

Nanocheckerboard modulations in (NaNd)(MgW)O6

La2SrCr2O7: Controlling the Tilting Distortions of n = 2 Ruddlesden–Popper Phases through A-Site Cation Order

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La₂SrCr₂O₇: Controlling the Tilting Distortions of n = 2 Ruddlesden–Popper Phases through A-Site Cation Order