Ferroelectricity versus Antiferroelectricity in the Solid Solutions of PbZrO<sub>3</sub>and PbTiO<sub>3</sub>

Sawaguchi, E.

doi:10.1143/jpsj.8.615

Cited by 497 publications

(211 citation statements)

References 14 publications

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“…This conventional picture is true of materials with lone pairbearing metals (PbTiO 3 , BiFeO 3 with the lone pair on the A-site cations) 27,28 and those without (BaTiO 3 , KNbO 3 ). 29,30 Local structure probes have revealed a more complex picture of the phase transitions in some of these materials, wherein disordered local cation displacements persist above the phase transition and average out crystallographically to a high symmetry structure model.…”

Section: Introductionmentioning

confidence: 99%

Dynamic Stereochemical Activity of the Sn²⁺ Lone Pair in Perovskite CsSnBr₃

et al. 2016

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Stable s 2 lone pair electrons on heavy main-group elements in their lower oxidation states drive a range of important phenomena, such as the emergence of polar ground states in some ferroic materials. Here we study the perovskite halide CsSnBr 3 as an embodiment of the broader materials class. We show that lone pair stereochemical activity due to the Sn s 2 lone pair causes a crystallographically hidden, locally distorted state to appear upon warming, a phenomenon previously referred to as emphanisis.The synchrotron X-ray pair distribution function acquired between 300 K and 420 K reveals emerging asymmetry in the nearest-neighbor Sn-Br correlations, consistent with dynamic Sn 2+ off-centering, despite there being no evidence of any deviation from the average cubic structure. Computation based on density functional theory supports the finding of a lattice instability associated with dynamic off-centering of Sn 2+ in its coordination environment. Photoluminescence measurements reveal an unusual blueshift with increasing temperature, closely linked to the structural evolution. At low temperatures, the structures reflect the influence of octahedral rotation. A continuous transition from an orthorhombic structure (P nma, no. 62) to a tetragonal structure (P 4/mbm, no. 127) is found around 250 K, with a final, first-order transformation at 286 K to the cubic structure (P m3m, no. 221).2

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Section: Introductionmentioning

confidence: 99%

Dynamic Stereochemical Activity of the Sn²⁺ Lone Pair in Perovskite CsSnBr₃

et al. 2016

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“…In the neutron and X-ray diffraction refinements of the R phase by several researchers [20][21][22] , the least-squares refined anisotropic displacement parameters indicated that the Pb atom density distribution was disk-shaped with the disk perpendicular to [111]. This was explained by displacing the Pb atoms away from the rhombohedral threefold axes to create local monoclinic structures 22 that averaged to an overall rhombohedral symmetry.…”

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The missing boundary in the phase diagram of PbZr1−xTixO3

et al. 2014

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(PZT) is one of the most important and widely used piezoelectric materials. The study of its local and average structures is of fundamental importance in understanding the origin of its high-performance piezoelectricity. Pair distribution function analysis and Rietveld refinement have been carried out to study both the short-and long-range order in the Zr-rich rhombohedral region of the PZT phase diagram. The nature of the monoclinic phase across the Zr-rich and morphotropic phase boundary area of PZT is clarified. Evidence is found that long-range average rhombohedral and both long-and short-range monoclinic regions coexist at all compositions. In addition, a boundary between a monoclinic (M A ) structure and another monoclinic (M B ) structure has been found. The general advantage of a particular monoclinic distortion (M A ) for high piezoactivity is discussed from a spatial structural model of susceptibility to stress and electric field, which is applicable across the wide field of perovskite materials science.

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“…[1][2][3] Despite these outstanding properties, there is significant interest in the development of new lead-free piezoelectrics due to concerns over the toxicity of lead. Unfortunately, the piezoelectric response of lead-free materials is generally inferior to the performance of the PZT family.…”

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Effects of tricritical points and morphotropic phase boundaries on the piezoelectric properties of ferroelectrics

Porta

Lookman

2011

Phys. Rev. B

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The longitudinal piezoelectric coefficient d * 33 of a PZT-like ferroelectric is computed in the full compositiontemperature parameter space using sets of parameters which control the position of the tricritical points and the degree of tilting of the morphotropic phase boundary separating the ferroelectric rhombohedral phase from the ferroelectric tetragonal phase. The system is modeled using a Ginzburg-Landau expansion of the free energy in terms of the electric polarization up to sixth order, including all the symmetry allowed terms. We obtain two regions of the phase diagram with a large piezoelectric response. In the polar direction, d * 33 is large in the vicinity of the paraelectric to ferroelectric line of phase transitions, whereas in a nonpolar direction d * 33 is large in the vicinity of the morphotropic phase boundary. We find that a given degree of tilting of the morphotropic phase boundary can be obtained from free energies with different degrees of anisotropy, and therefore the titling and anisotropy are not directly related . On the other hand, the piezoelectric response is larger when the two tricritical points of the phase diagram are farther apart from each other than when they collapse onto a single tricritical point.

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Ferroelectricity versus Antiferroelectricity in the Solid Solutions of PbZrO₃and PbTiO₃

Cited by 497 publications

References 14 publications

Dynamic Stereochemical Activity of the Sn²⁺ Lone Pair in Perovskite CsSnBr₃

Dynamic Stereochemical Activity of the Sn²⁺ Lone Pair in Perovskite CsSnBr₃

The missing boundary in the phase diagram of PbZr1−xTixO3

Effects of tricritical points and morphotropic phase boundaries on the piezoelectric properties of ferroelectrics

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Ferroelectricity versus Antiferroelectricity in the Solid Solutions of PbZrO3and PbTiO3

Cited by 497 publications

References 14 publications

Dynamic Stereochemical Activity of the Sn2+ Lone Pair in Perovskite CsSnBr3

Dynamic Stereochemical Activity of the Sn2+ Lone Pair in Perovskite CsSnBr3

The missing boundary in the phase diagram of PbZr1−xTixO3

Effects of tricritical points and morphotropic phase boundaries on the piezoelectric properties of ferroelectrics

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Ferroelectricity versus Antiferroelectricity in the Solid Solutions of PbZrO₃and PbTiO₃

Dynamic Stereochemical Activity of the Sn²⁺ Lone Pair in Perovskite CsSnBr₃

Dynamic Stereochemical Activity of the Sn²⁺ Lone Pair in Perovskite CsSnBr₃