Remarkable impact of low BiYbO<sub>3</sub> doping levels on the local structure and phase transitions of BaTiO<sub>3</sub>

Deluca, Marco; Al-Jlaihawi, Zaid Ghalib Abdul-kadhim; Reichmann, Klaus; Bell, Anthony M. T.; Feteira, Antônio

doi:10.1039/c7ta11096k

Cited by 33 publications

(6 citation statements)

References 37 publications

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“…For example, the gradual decrease in T phase content with increasing x and its complete absence in x=0.14 is commensurate with the disappearance of the sharp mixed mode E(LO 2 + TO 3 ) + B 1 at 303 cm −1 from the Raman spectra as shown in Figure S4 (Supplemental information). 30 The presence of R is consistent with a residual A 1 (TO) mode at 185 cm -1 , but also it is expected from evolution of the permittivity behavior as depicted in Figure 3(c,d). The occurrence O symmetry is difficult to ascertain from the Raman data, however it is readily discerned from the high-resolution scanning transmission electron microscopy (HRSTEM) images, as shown later in Figure 5.…”

Section: Structure and Piezoelectricity Of Sn-doped Bt Ceramicssupporting

confidence: 81%

Ultrahigh piezoelectricity in lead-free piezoceramics by synergistic design

et al. 2020

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Following increased environmental concerns on the toxicity of lead, the discovery of ultrahigh piezoelectricity in lead-free piezoelectric materials is critical for the substitution of commercial lead zirconate titanate (PZT) ceramics in numerous electronics. In this work, a synergistic design strategy is proposed to enhance the piezoelectricity in lead-free piezoelectric materials by flattening the Gibbs free energy density profile, via the coexistence of multiple phases and local structural heterogeneity This strategic materials design approach is based on first-principles calculations combined with Landau phenomenological theory and phase field simulations. Sustainable Stannum-doped BaTiO 3 lead-free ferroelectric ceramics is prepared to validate our proposed mechanism, and a giant piezoelectric coefficient d 33 > 1100 pC/N is achieved, being the highest value reported in lead-free piezoceramics. The mechanism and paradigm of the excellent piezoelectricity achieved here provides a feasible solution for replacing lead based piezoelectrics by lead-free counterparts.

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Section: Structure and Piezoelectricity Of Sn-doped Bt Ceramicssupporting

confidence: 81%

Ultrahigh piezoelectricity in lead-free piezoceramics by synergistic design

et al. 2020

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“…Conceptually, while mesoscopically the material remains charge neutral, a permanent dipole is created in the region, with the dipole strength depending on the charge difference and separation distance of the two substituted unit cells. Although these fields may vary in direction and magnitude, they will superpose with one another and may become quite large 14,15 . Specifically, dipole-like substituted BT has been compared with Ba(Ti0.70Zr0.30)O3 to assess the viability of using BT based relaxors for tunable microwave applications.…”

Section: Introductionmentioning

confidence: 99%

“…Although these fields may vary in direction and magnitude, they will superpose with one another and may become quite large. 14,15 Specifically, dipole-like substituted BT has been compared with Ba(Ti 0.70 Zr 0.30 )O 3 to assess the viability of using BT-based relaxors for tunable microwave applications. BaTi 0.90 Ga 0.05 Nb 0.05 O 3 shows electric field tunability comparable to BT but has increased loss at microwave frequencies.…”

Section: Introductionmentioning

confidence: 99%

Dielectric and structural studies of ferroelectric phase evolution in dipole‐pair substituted barium titanate ceramics

et al. 2019

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Ba{[Gax,Tax]Ti(1−2x)}O3 ceramics with x equal to 0, 0.0025, 0.005, 0.01, 0.025, and 0.05 have been prepared by conventional solid‐state reaction. Structural and dielectric characterization have been performed to investigate the effect of dipole‐pair substitution concentration on the macroscopic dielectric properties. Ba{[Gax,Tax]Ti(1−2x)}O3 evolves from a classic ferroelectric to a diffuse phase transition (DPT) as x increases. Ba{[Gax,Tax]Ti(1−2x)}O3 for x ≥ 0.01 possesses diffuseness parameters comparable to Pb(Mg1/3Nb2/3)O3‐PbTiO3 (PMN‐PT) and recently reported (Ba0.97Pr0.03)(Ti0.9425Ce0.05)O3 (BPTC), yet it lacks the frequency and temperature dependence of Tm necessary to be a strictly defined relaxor ferroelectric. Additionally, Ba{[Ga0.05,Ta0.05]Ti0.9}O3 possesses a relative permittivity, ɛr, of 700 ± 16% and dissipation factor less than 0.05 at 10 kHz within the temperature range [−75°C, 120°C]. In comparison to BaTiO3, Ba{[Gax,Tax]Ti(1−2x)}O3 possesses enhanced electrical resistivity at and above room temperature. In situ XRD, including Rietveld refinement, have been performed to determine the lattice parameter, coefficient of thermal expansion, and phase transition temperature (Tc) of each composition within the temperature range [RT, 1000°C], thus linking the dielectric properties with the material's structure. These studies have been corroborated by temperature‐dependent Raman spectroscopy to compare the Tc determined by electrical and structural characterization. The properties of Ba{[Gax,Tax]Ti(1−2x)}O3 are discussed in context with available models that describe donor and acceptor dopants spatially separated in the parent matrix, inter‐relating lattice parameter, Curie temperature, and other material properties.

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“…The dielectric constants in neighboring subregions show gentle rather than abrupt variation, implying that only AFE phases exist in region X, because FE phase has significantly higher dielectric constant than AFE phase. These phase transitions resemble to polymorphic phase transition (PPT) in classic FE, for example, tetragonal to orthorhombic and then to rhombohedral phase transitions in BaTiO 3 (20). However, the notable difference is that PPT is diffused between AFE, while it is sharp between FE.…”

Section: Resultsmentioning

confidence: 91%

Discovery of electric devil’s staircase in perovskite antiferroelectric

Cai

et al. 2022

Sci. Adv.

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The devil’s staircase, describing step-like function for two competing frequencies, is well known over a wide range of dynamic systems including Huyghens’ clocks, Josephson junction, and chemical reaction. In condensed matter physics, the devil’s staircase has been observed in spatially modulated structures, such as magnetic ordering. It draws widespread attentions because it plays a crucial role in the fascinating phenomena including phase-locking behaviors, commensurate-incommensurate phase transition, and spin-valve effect. Here, we report the observation of polymorphic phase transitions consisting of several steps in PbZrO 3 -based system—namely, electric devil’s staircase—originated from competing ferroelectric and antiferroelectric interactions. We fully characterize a specific electric dipole configuration by decomposing this competitive interaction in terms of basic structure and modulation function. Of particular interest is that the occurrence of many degenerate electric dipole configurations in devil’s staircase enables superior energy storage performance. These observations are of great significance for exploring more substantive magnetic-electric correspondence and engineering practical high-power antiferroelectric capacitors.

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Remarkable impact of low BiYbO₃ doping levels on the local structure and phase transitions of BaTiO₃

Abstract: Bi3+ with a stereochemically active lone-pair of electrons induces severe lattice strain in BaTiO3 as revealed by a significant Raman shift of the mode associated with the O–Ti–O bonds.

Cited by 33 publications

References 37 publications

Ultrahigh piezoelectricity in lead-free piezoceramics by synergistic design

Ultrahigh piezoelectricity in lead-free piezoceramics by synergistic design

Dielectric and structural studies of ferroelectric phase evolution in dipole‐pair substituted barium titanate ceramics

Discovery of electric devil’s staircase in perovskite antiferroelectric

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Remarkable impact of low BiYbO3 doping levels on the local structure and phase transitions of BaTiO3

Abstract: Bi3+ with a stereochemically active lone-pair of electrons induces severe lattice strain in BaTiO3 as revealed by a significant Raman shift of the mode associated with the O–Ti–O bonds.

Cited by 33 publications

References 37 publications

Ultrahigh piezoelectricity in lead-free piezoceramics by synergistic design

Ultrahigh piezoelectricity in lead-free piezoceramics by synergistic design

Dielectric and structural studies of ferroelectric phase evolution in dipole‐pair substituted barium titanate ceramics

Discovery of electric devil’s staircase in perovskite antiferroelectric

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Remarkable impact of low BiYbO₃ doping levels on the local structure and phase transitions of BaTiO₃