Phase transitions in PbSc0.5Ta0.5O3

Ordered and partially ordered PbSc_0.5Ta_0.5O₃ ferroelectric single crystals are studied by diffraction, electrophysical, and optical methods. X-ray diffraction and electrophysical methods indicate the presence of a phase transition in the low-temperature range (at T = ?40°C).     

Phase transitions in lead scandoniobate PbSc0.5Nb0.5O3

Crystals of PbSc_0.5Nb_0.5O₃ are investigated by x-ray diffraction and optical spectroscopy. It is found that the phase transformations in PbSc_0.5Nb_0.5O₃ are governed by two mechanisms: displacive ferroelectric phase transitions and consistent rotations of oxygen octahedra.     

Spontaneous phase transition from relaxor to macrodomain ferroelectric state in single-crystal PbSc0.5Nb0.5O3-BaSc0.5Nb0.5O3 solid solutions

The cooling of Pb_1?x Ba_xSc_0.5Nb_0.5O₃ solid solutions with x≤0.04 leads to a spontaneous transition from a relaxor to a macrodomain ferroelectric state, accompanied by anomalous variation of the dielectric and optical properties of the material. As the barium content in the system increases, the relaxor state becomes more stable and eventually “freezes” at x≈0.05. The crystals with x=0.06 exhibited the appearance of a macrodomain ferroelectric phase induced both by an external electric field with a strength of 1.5 kV/cm and by an internal electric field formed in the course of dielectric aging.     

Pressure-induced phase transition in PbSc0.5Ta0.5O3 as a model Pb-based perovksite-type relaxor ferroelectric

We report pressure-induced structural changes in PbSc(0.5)Ta(0.5)O3 studied by single-crystal x-ray diffraction and Raman scattering. The appearance of a soft mode, a change in the volume compressibility, broadening of the diffraction peaks, and suppression of the x-ray diffuse scattering show that a phase transition occurs near pc approximately 1.9 GPa. The critical pressure is associated with a decoupling of the displacements of the B site and Pb cations in the existing polar nanoregions, leading to the suppression of B-cation off-center shifts and enhancement of the ferroic distortion in the Pb-O system.     

Dielectric properties of the Li0.07Na0.93Ta0.1Nb0.9O3 and Li0.07Na0.93Ta0.111Nb0.889O3 solid solutions

Dielectric properties of perovskite ferroelectric solid solutions Li_0.07Na_0.93Ta_0.1Nb_0.9O₃ and Li_0.07Na_0.93Ta_0.111Nb_0.889O₃ are studied over the 290?C700 K range of temperature within the frequency range of 25?C10⁶ Hz. A decrease of the Curie temperature (??75 K) compared with Li_0.07Na_0.93Ta_0.1Nb_0.9O₃ synthesized from mechanical mixture of pentoxides Ta₂O₅ and Nb₂O₅ is observed in Li_0.07Na_0.93Ta_0.111Nb_0.889O₃ synthesized from co-precipitated pentoxide Ta_2y Nb_{2(1 ? y)}O₅.     

Study of the ion mobility in a Li0.03Na0.97Ta0.4Nb0.6O3 solid solution by raman spectra

We have studied ion mobility in a Li_0.03Na_0.97Ta_0.4Nb_0.6O₃ solid solution by its Raman spectra. It has been revealed that, as the temperature of the solution is increased to approach the point of the phase transition to a state with a high conductivity with respect to lithium, the lines with frequencies at 77, 118, and 142 cm^?1, which refer, respectively, to librations of oxygen octahedra Nb(Ta)O6 as a whole and vibrations of Li and Na ions in octahedra, considerably broaden, decrease in intensity, and smear into the wing of the Rayleigh line. Remaining lines are preserved in the spectrum. We have observed that the width of the line with a frequency of 118 cm^?1 depends exponentially on temperature, while the width of the line with a frequency of 142 cm^?1 changes linearly with it, which makes it possible to attribute to the line with the frequency of 118 cm^?1 to vibrations of Li⁺ cations, whereas the line with the frequency of 142 cm^?1 should be attributed to vibrations of Na⁺ cations in AO₁₂ cuboctahedra. The average lifetime of Li⁺ ions in equilibrium positions and the jump barrier have been estimated to be ～8 × 10^?12 s and ～20 kJ/mol, respectively. This agrees well with the data in the literature on measurements of electric conductivity.     

Time Dependences of Dielectric and Acoustic Properties in PbFe0.5Nb0.5O3 and PbFe0.5Nb0.5O3–7PbTiO3 Single Crystals

Physics of the Solid State - The time changes of permittivity, damping and velocity of sound are studied for PbFe0.5Nb0.5O3 and PbFe0.5Nb0.5O3–7PbTiO3 single crystals in the electric fields...     

The effect of some transition metal oxides on the physical properties of K0.5Na0.5Nb0.95Ta0.05O3 ceramics

Abstract

Both K_0.5Na_0.5Nb_0.95Ta_0.05O₃ (KNNTO) and (K_0.5Na_0.5Nb_0.95Ta_0.05O₃)_0.99-M_0.01, M = Co₃O₄ and Mn₂O₃ (M/KNNTO) Ferromagnetic behaviour was observed for some M/KNNTO compounds. The hardness and compressive strength of all investigated samples are given. Comparisons with similar materials are discussed. Ceramics were synthesised using a solid-state reaction method. X-ray diffraction patterns of all samples revealed that the crystal structure is orthorhombic. Field-emission scanning electron microscopy was performed. Polarisation hysteresis curves indicated a disruption of ferroelectric order with the addition of M into KNNTO ceramics. The dielectric properties of the investigated ceramics have been studied as a function of frequency and temperature.     

Theoretical study on the fine structure of PbFe0.5Nb0.5O3

The full potential linearized augmented plane wave method within the generalized gradient approximation was used to determine the tetragonal fine structure for PbFe_0.5Nb_0.5O₃, i.e., the equilibrium configuration of B-site compound cations (Fe and Nb). It was found that the displacement of atom Fe along [001] direction is 0.022 nm and that of Nb is 0.0020 nm. The ferroelectric instability of complex compound PbFe_0.5Nb_0.5O₃ is mainly coming from the displacement of atom Fe along [001] direction.     

Ferroelectric phase transitions in Pb0.96Ba0.04Sc0.5Nb0.5O3 and Pb0.94Ba0.06Sc0.5Nb0.5O3 solid-solution single crystals

The optical properties of Pb_0.96Ba_0.04Sc_0.5Nb_0.5O₃ (PBSN-4) and Pb_0.94Ba_0.06Sc_0.5Nb_0.5O₃ (PBSN-6) single-crystal solid solutions were studied for the first time. It was shown that the spontaneous phase transition occurring in PBSN-4 with no electric field present is accompanied by a sharp minimum in optical transmission, which indicates the percolation nature of the transition. No sharp changes were observed in the temperature dependence of optical transmission in PBSN-6 single crystals with no electric field applied. However, a very weak electric field, ～0.4 kV/cm, is sufficient to induce the ferroelectric state in PBSN-6 single crystals. It was shown that the destruction of the induced ferroelectric state is a first-order phase transition which is accompanied by an anomalously narrow peak in the small-angle light scattering intensity (or by a minimum in optical transmission) and occurs through the percolation mechanism.     

Synthesis and characteristics of KTa0.5Nb0.5O3 thin films

KTa_0.5Nb_0.5O₃ thin films were synthesized via a metal-organic solution. Characteristics were measured, such as X-ray diffraction pattern, surface morphology and roughness, and electric properties. The synthesized films have a (100) preferential growth orientation on Si (100) substrate. The homogeneous microstructure and smooth surface benefit to the good electric properties of the thin films. The current density-voltage characteristic shows an unexpected feature of the transition from linear to nonlinear, which can be explained by the space-charge-limited mode. Dielectric constant and loss of the thin films decrease with the increase of frequency. The decrease of dielectric loss is related to the decrease of net polarization in material. The decrease of dielectric constant can be explained by Debye formula. The phase transition temperature T _c is about 102 °C for KTa_0.5Nb_0.5O₃ materials.     

Acoustic properties of the disordered relaxor ferroelectric PbSc1/2Ta1/2O3

The behavior of acoustic phonons in crystals of a relaxor ferroelectric, namely, the lead scandium tantalate PbSc_1/2Ta_1/2O₃ (PST), is studied in the vicinity of the diffuse phase transition. The behavior of longitudinal and transverse acoustic phonons in a PST single crystal is examined using Brillouin scattering. The phonon subsystem is found to behave anomalously in the vicinity of T = 297 K, which can probably be assigned to the existence of a phase transition. Analysis of the results obtained yields the values of the elastic moduli C₁₁, C₁₂, and C₄₄ for the cubic phase of the crystal over a wide temperature range.     

High-temperature impedance spectroscopy of BaFe0.5Nb0.5O3 ceramics doped with Bi0.5Na0.5TiO3

Bi_0.5Na_0.5TiO₃ (BNT)-doped BaFe_0.5Nb_0.5O₃ (BFN) ceramics were synthesized by a two-step solid-state reaction. Temperature dependence of dielectric properties measured at different frequencies was investigated over broad temperature and frequency ranges. Impedance spectroscopy and universal dielectric response were employed to study the relaxation behavior and conductivity mechanism of the ceramics in a frequency range from 40 Hz to 100 MHz and a temperature range from 300 K to 800 K. The complex plane impedance data revealed the bulk and grain boundary contributions toward conductivity processes in the form of semicircular arcs. The high-temperature conductivity of ceramics is attributable to thermally activated second ionized oxygen vacancy.     

四方铁电体PbFe0.5Nb0.5O3精细结构的第一性原理研究

采用全电势线性缀加平面波法(FPLAPW),计算了PbFe0.5Nb0.5O3的总能量,从而确定了它的四方铁电稳态结构,即B位离子(Fe和Nb)在四方铁电相的平衡构型.计算结果表明,Fe相对于氧八面体沿[001]方向的位移为0.022nm,而Nb的偏心位移为0.0020nm,其中铁电非稳性主要归因于前者 关键词： 铁电体 密度泛函理论 平面波法     

光折变晶体KTa0.5Nb0.5O3光学特性的第一性原理研究

用全电势线性缀加平面波法(FLAPW)计算了KTa0.5Nb0.5O3四方相和立方相 的光学特性，即介电函数虚部ε２(ω)、光学吸收系数I(ω)和反射率R(ω). 在四方相，介电虚部沿a，b轴，在3，7和23eV附近，分别有三个介电峰.沿c轴的三个介电峰分别位于4，8和23eV.其中4eV附近的介电峰非常尖锐而且高.从8至18eV，沿a，b ，c轴三个方向都有许多低的介电峰.通过对两相光学特性的对比分析发现铁电相KTa0.5Nb0.5O3具有更强的各向异性. 关键词： 平面波法计算 光学常量和参数 铁电体