A theory for structural phase transitions in BaTiO3 single crystal and PbZrO3 -<i>x</i>PbTiO3 solid solution

Zhang, Hui

doi:10.1063/1.4802874

Cited by 14 publications

(14 citation statements)

References 23 publications

(44 reference statements)

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“…The investigations of BaTiO 3 and PZN-PT single crystals have shown that the model is in good agreement with experimental data, and effective for both polarization rotation and phase transitions in the crystals. [19][20][21][22] These results also suggested that the electrocrystalline anisotropy determines not only the polarization rotation but also the crystal structure of crystal, and clearly indicates its physical significance. However, there is another anisotropy associated with an applied stress.…”

Section: Introductionmentioning

confidence: 59%

“…In our previous work, a phenomenological theory has been proposed for understanding polarization rotation in ferroelectric crystals. 19,20 In this model, the electrocrystalline anisotropy has been introduced without considering the piezoelectric effect. The investigations of BaTiO 3 and PZN-PT single crystals have shown that the model is in good agreement with experimental data, and effective for both polarization rotation and phase transitions in the crystals.…”

Section: Introductionmentioning

confidence: 99%

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Effect of the compressive stress on both polarization rotation and phase transitions in PMN-30%PT single crystal

Zhang

2014

AIP Advances

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In this paper, we have investigated the dependence of both the electromechanical effect and the electrostriction on the compressive stress in PMN-30%PT single crystal on the basis of single domain polarization rotation model. In the model, the electroelastic energy induced by the compressive stress is taken into account. The results have demonstrated that the compressive stress can lead to a significant change in the initial polarization state in the crystal. The reason lies in the stress induced anisotropy which is the coupling between the compressive stress and the electrostrictive coefficients. Thus, the initial polarization state in single crystal is determined by the combination of both electrocrystalline anisotropy and the stress induced anisotropy. The compressive stress along the [100] axis can make the polarization in the crystal be perpendicular to the stress direction, and make it difficult to be polarized to the saturation. This model is useful for better understanding both the polarization rotation and electromechanical effect in ferroelectric crystals with the compressive stress present.

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Section: Introductionmentioning

confidence: 59%

Section: Introductionmentioning

confidence: 99%

Effect of the compressive stress on both polarization rotation and phase transitions in PMN-30%PT single crystal

Zhang

2014

AIP Advances

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“…Experimental observations have demonstrated that the sequence of decreasing temperature phase transitions is more complex and as follows: cubic‐tetragonal‐orthorhombic‐rhombohedral. For these ferroelectric phases, the spontaneous polar directions are also accordingly changing from the <100> axis to the <110> axis, and then to the <111> axis as the temperature decreases …”

Section: Introductionmentioning

confidence: 99%

Temperature dependence on phase evolution in the BaTiO₃ polytypes studied using ab initio calculations

Oliveira

Ribeiro

Longo

et al. 2019

Int J of Quantum Chemistry

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Identifying the forces that drive a temperature-induced phase transition is always challenging in the prospect of the first-principles methods. Herein, we perform a first-principles study of the temperature effects on structural, energetic, electronic, and vibrational properties of four BaTiO 3 polymorphs using quasi-harmonic approximations. Study of the stability between these four phases, which we break into contributions arising from the vibration of the lattice, electronic structure, and volume expansion/contraction, is helpful to confirm the sequence of phase transitions as cubic ! tetragonal ! orthorhombic ! rhombohedral, as well as its transition temperatures. A general mechanism was proposed based on the combination between structural distortions at [TiO 6 ] clusters, vibrational characteristics, and electronic structure. These findings confirm the power of quasi-harmonic approximations to disclose the main fingerprints associated with both thermic and mechanical phase transitions, serving as a guide for further theoretical studies.is a typical perovskite oxide with a band gap energy of nearly 3.2 eV [1] with an ABO 3 perovskite cubic structure [2,3] and has been studied using several theoretical and experimental methods. Its study under high pressure has been reported by many authors in the last few decades using different methods such as dielectric measurements, Brillouin scattering, Raman scattering, X-ray diffraction, and the photoacoustic technique. [4][5][6][7][8] In a recent study, [9] experimental results for pressure-strained BaTiO 3 show that it first undergoes a phase transition from the tetragonal to orthorhombic/rhombohedral phase occurring above~2.6 GPa, and then it finally goes to the cubic phase above 8.4 GPa, the phase transition being from tetragonal to cubic at room temperature reported around 2 GPa.One of the most important features of BTO is related to the electrical properties such as ferroelectric, piezoelectric, and pyroelectric features. [10] This compound has a paraelectric to ferroelectric phase transition below the Curie point near 120 C. [11] The influence of temperature for phase transition is very accentuated, with several polymorphs being possible for BTO material; the crystal structure changes among from rhombohedral (R3m) to orthorhombic (Amm2) at 183 K, then to tetragonal (P4mm) at 278 K and to cubic (Pm3m) at 403 K. The cubic phase is paraelectric and the other phases are ferroelectric, exhibiting a nonzero dipole moment that depends on the temperature. There is one BTO formula unit in the unit cell in all four phases, so that phase transitions to ferroelectric phases are due to the soft mode at the C point of the cubic BTO Brillouin zone (BZ).

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“…Recently, the replacement of Ca for Ba in BTO has attracted many attentions due to its interesting properties, especially its piezoelectric property. The first report on Ba 1-x Ca x TiO 3 (BCT) composite [3,4] showed that the structure phase transition temperature T T-O (tetragonal to orthorhombic) of BCT samples much reduces in dependence of Ca concentration while the Curie temperature T c remains unchanged at 130 0 C. The dependence of T c and T T-O on Ca concentration is quite different in case of Sr substitution for Ba in BTO. In the fact that, the decreasing in T c and T T-O in case of the Sr substitution was attributed to the ionic radius effect, the ionic radius of Sr 2+ is smaller than that of Ba 2+ [1,2,5].…”

Section: Introductionmentioning

confidence: 99%

EFFECT OF Ca CONCENTRATION SUBSTITUTING FOR Ba ON STRUCTURE AND FERROELECTRIC PROPERTIES OF BZT-BCT MATERIAL

Khien¹

2018

JST

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In this paper, we report the effect of Ca substitution on the structure and ferroelectric properties of BaZr0.2Ti0.8O3-Ba1-xCaxTiO3 (BZT-BCT). The BZT-BCT samples were synthesized by solid state reaction method. The X-ray results indicate that a phase structure competition appears in the Ca-substituted samples. Based on the hysteresis loops measured by Sawyer – Towermethod, we calculated the Ec and Pr values with the extreme value reaching 29.6 %. The ferroelectric properties of BZT-BCT materialstrongly depend on Ca concentration. The results may be related to a pinning effect concerning with the phase-structured competition in the material.

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A theory for structural phase transitions in BaTiO3 single crystal and PbZrO3 -xPbTiO3 solid solution

Cited by 14 publications

References 23 publications

Effect of the compressive stress on both polarization rotation and phase transitions in PMN-30%PT single crystal

Effect of the compressive stress on both polarization rotation and phase transitions in PMN-30%PT single crystal

Temperature dependence on phase evolution in the BaTiO₃ polytypes studied using ab initio calculations

EFFECT OF Ca CONCENTRATION SUBSTITUTING FOR Ba ON STRUCTURE AND FERROELECTRIC PROPERTIES OF BZT-BCT MATERIAL

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A theory for structural phase transitions in BaTiO3 single crystal and PbZrO3 -xPbTiO3 solid solution

Cited by 14 publications

References 23 publications

Effect of the compressive stress on both polarization rotation and phase transitions in PMN-30%PT single crystal

Effect of the compressive stress on both polarization rotation and phase transitions in PMN-30%PT single crystal

Temperature dependence on phase evolution in the BaTiO3 polytypes studied using ab initio calculations

EFFECT OF Ca CONCENTRATION SUBSTITUTING FOR Ba ON STRUCTURE AND FERROELECTRIC PROPERTIES OF BZT-BCT MATERIAL

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Temperature dependence on phase evolution in the BaTiO₃ polytypes studied using ab initio calculations