Core-shell structure and size effect in barium titanate nanoparticle

Fang, Chao; Zhou, Dongxiang; Gong, Shuping

doi:10.1016/j.physb.2011.01.024

Cited by 52 publications

(28 citation statements)

References 40 publications

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“…The polarization is reduced at the lattice boundary because the lattice attempts to minimize the gradient energy associated with P ¼ 0 on the lattice boundaries. When T ¼ 390 K, the lattice shows a single domain and has the composite structure consisting of an inner tetragonal core, a gradient lattice strain layer, and a surface cubic layer, which is in agreement with a theoretical finding [36] and the experimental data from BaTiO 3 fine particles [37][38][39][40]. When the temperature rises to above the T t-c ¼ 396 K ferroelectric phase disappears.…”

Section: Modelsupporting

confidence: 89%

Phase-field simulation study on size effect of the microstructure evolution of a single-domain barium titanate 2D lattice square

Fang

2014

Phys. Status Solidi B

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Microstructure evolution and size effect of a two-dimensional barium titanate lattice sqaure have been studied using phasefield simulation. Based on the Landau phenomenological model, we calculated the microstructure evolution of the tetragonal and orthorhombic ferroelectric BaTiO 3 started from a single domain with various lattice sizes. A directiondependent hysteresis loop can be quantitatively described. The results show that both the phase transition with temperature and polarization switching under an external electric field are accompanied by multidomain and multiphase production in a large single-domain lattice, but synchronous changes in polarization in small lattice; As the grain size decreases, the orthorhombic ! tetragonal phase-transition temperature increased, while the tetragonal ! cubic, cubic ! tetragonal, and tetragonal ! orthorhombic phase-transition temperatures decrease. An interesting conclusion is that it shows triple hysteresis loops along the [11]-direction when the lattice size decreases to a certain size. The simulations of microstructure evolutions not only produce a good domain-switching process under various electric fields, but also provide a comprehensive microstructure evolution in the vicinity of the phase-transition points. The physics underlying the continuous evolution of microstructure with electric field and temperature is discussed.

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Section: Modelsupporting

confidence: 89%

Phase-field simulation study on size effect of the microstructure evolution of a single-domain barium titanate 2D lattice square

Fang

2014

Phys. Status Solidi B

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“…The initial work focused on Zr-rich PZT, [9] and although this alloy is still being investigated, [10,11] there has also been a great deal of interest in other perovskite crystals including (1 − x)PbMg 1/3 Nb 2/3 O 3 -xPbTiO 3 [12,13], BTO [14,15,16,17,18,19], BaTiO 3 -SrTiO 3 superlattices [20], and SrBi 2 Ta 2 O 9 layered oxides [21].…”

Section: Introductionmentioning

confidence: 99%

“…[19] Previous theoretical studies of BTO have largely relied on thermodynamic models, for example the Ginzburg-Landau-Devonshire model. [15,16,17,19,20,11] While these have proven successful, they require a large amount of data to accurately parameterize the model. One alternative approach was demonstrated by Cao and Li in which they created a transverse Ising model (TIM) to study the ECE in BTO thin-films.…”

Section: Introductionmentioning

confidence: 99%

Effective Hamiltonian methods for predicting the electrocaloric behavior of BaTiO3

et al. 2012

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a b s t r a c tThe perovskite crystal BaTiO 3 is modeled using a first-principles based effective Hamiltonian and molecular dynamics simulations are performed to estimate the pyroelectric response. The electrocaloric temperature change, DT, is calculated for different temperatures and externally applied electric fields. It is found that it is possible to achieve a large DT, around 5-6 K, for a relatively small electric field gradient, less than 100 kV/cm, if the applied fields have a small absolute magnitude.

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“…These findings are consistent with previous work reporting that the surface of a BT nanoparticle was composed of paraelectric cubic phase, while its inner core was the ferroelectric tetragonal phase. 14,15 For concave areas, although deformation of the outermost surface was not clearly observed, probably because the surface was polygonal rather than curved, compression/relaxation was detected in the pore wall [ Fig. 4(d)].…”

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confidence: 99%

Origin of thermally stable ferroelectricity in a porous barium titanate thin film synthesized through block copolymer templating

et al. 2017

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A porous barium titanate (BaTiO3) thin film was chemically synthesized using a surfactant-assisted sol-gel method in which micelles of amphipathic diblock copolymers served as structure-directing agents. In the Raman spectrum of the porous BaTiO3 thin film, a peak corresponding to the ferroelectric tetragonal phase was observed at around 710 cm−1, and it remained stable at much higher temperature than the Curie temperature of bulk single-crystal BaTiO3 (∼130 °C). Measurements revealed that the ferroelectricity of the BaTiO3 thin film has high thermal stability. By analyzing high-resolution transmission electron microscope images of the BaTiO3 thin film by the fast Fourier transform mapping method, the spatial distribution of stress in the BaTiO3 framework was clearly visualized. Careful analysis also indicated that the porosity in the BaTiO3 thin film introduced anisotropic compressive stress, which deformed the crystals. The resulting elongated unit cell caused further displacement of the Ti4+ cation from the center of the lattice. This displacement increased the electric dipole moment of the BaTiO3 thin film, effectively enhancing its ferro(piezo)electricity.

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Core-shell structure and size effect in barium titanate nanoparticle

Cited by 52 publications

References 40 publications

Phase-field simulation study on size effect of the microstructure evolution of a single-domain barium titanate 2D lattice square

Phase-field simulation study on size effect of the microstructure evolution of a single-domain barium titanate 2D lattice square

Effective Hamiltonian methods for predicting the electrocaloric behavior of BaTiO3

Origin of thermally stable ferroelectricity in a porous barium titanate thin film synthesized through block copolymer templating

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