Search results for "Titanate"
showing 10 items of 131 documents
Impact of Thermal Treatment on the Surface of Na0.5Bi0.5TiO3-Based Ceramics
2021
This research was funded by the European Regional Development Fund, grant number 1.1.1.2/VIAA/3/19/558. The Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme, grant number 739508.
Ab initio modelling of the effects of varying Zr (Ti) concentrations on the atomic and electronic properties of stoichiometric PZT solid solutions
2017
Abstract Lead zirconate titanate Pb(ZrxTi1−x)O3 solid solution is considered as one of the most advanced ferroelectric and piezoelectric materials. Consequent variation of Zr (Ti) concentrations significantly affects the atomic and electronic properties of PZT structures. To perform ab initio modelling of different morphologies for lead zirconate titanate, we are using approach of hybrid density functional B3PW as implemented in CRYSTAL14 computer code. In this study, we are performing large-scale calculations of such PZT parameters as optimized lattice constants, atomic charges and bond populations, as well as band structure (e.g., band gap) and density of states.
Sol–Gel Synthesis of Tunable Cerium Titanate Materials
2008
Cerium titanate structures present a high technological interest because of their optical and catalytic properties. This work reports the synthesis of these materials by a sol–gel methodology that allows mixed oxides with TiIV/CeIII, TiIV/CeIV or TiIV/CeIII–CeIV species to be obtained. Crystallization of CeO2–TiO2 mixed oxides and Ce2Ti2O7 pyrochlore phase was corroborated by XRD and Raman spectroscopy. Magnetic and EPR measurements were performed in order to clarify the oxidation state of the cerium ions in the system as a result of the easy oxidation of CeIII. The firing atmosphere is crucial for the CeIII/CeIV ratio, which is responsible for the different structure, but it also affects t…
Semi-empirical simulations of surface relaxation for perovskite titanates
2000
The (100) and (110) surface relaxations are calculated for SrTiO 3 and BaTiO 3 perovskite thin films. By means of a semi-empirical shell model, the positions of atoms in 16 near-surface layers placed atop a slab of rigid ions are calculated. Surface rumpling and surface-induced dipole moments are calculated for all possible surface terminations. Our results for the (100) surface structure are in good agreement with ab-initio plane-wave pseudopotential calculations and LEED experiments. The surface energy for the Ba-, Sr-, TiO-terminated (110) surfaces is found to be much larger than that for the (100) surface. In contrast, the surface energy for the asymmetric O termination, where outermost…
Synthèses optimisées et caractérisations avancées de nanotubes de titanate et de leurs fonctionnalisations : vers l'élaboration de nanovecteurs de mo…
2017
The aim of this PhD thesis is to develop new nanohybrids based on titanate nanotubes (TiONts) in order to use them as nanocarrier of a therapeutic molecule: a stilbene phenol, 4'-hydroxy-4-(3-aminopropoxy)-trans-stilbene (HAPtS), which is a transresveratrol derivative.TiONts are synthesized by a hydrothermal treatment from a precursor of rutile titanium dioxide. Two methods of hydrothermal synthesis have been studied (the static and dynamic ones): the second approach uses an original hydrothermal device which provides a vigorous mechanical stirring during the hydrothermal process with controllable stirring time par hour. A parametric study was carried out to evaluate the effect of reaction …
Frequency and temperature dependence of the electrical conductivity of KTaO3; Li and PbTiO3; La, Cu: Indication of a low temperature polaron mechanism
2008
Abstract Recently, the concept of polarons has again been at the focus of solid-state research, as it can constitute the basis for understanding the high-temperature superconductivity or the colossal magnetoresistance of materials. More than a decade ago there were some indications that polarons play an important role in explaining low temperature maxima in imaginary part of the dielectric constant e ″ ( T ) in ABO3 perovskites. In the present work we report the ac electrical conductivities of KTaO3; Li and PbTiO3; La, Cu and their frequency and temperature dependence. The real part of the complex ac conductivity was found to follow the universal dielectric response σ ′ ∝ ν s . A detailed t…
Algebraic value of the electrooptic coefficients and nature of charge carriers in batio3single crystals
1989
Abstract Some monodomain pure and Fe doped barium titanate monocrystals are studied. The algebraic values of the electrooptic coefficients r 13 and r 33 are evaluated using an interferometric method. Then, from energy transfer results it is possible to conclude that majority carriers are positive charges in all the samples.
Dielectric investigation of lead‐free perovskite strontium titanate with 25% bismuth ceramics
2009
In this work lead-free 0.75SrTiO3-0.25BiTiO3 ceramics have been investigated in broad frequency range. Obtained results showed pronounced dispersion below room temperature typical for the dipolar glasses. The calculated relaxation time distribution function broadens toward longest relaxation times part on cooling. The obtained most probable relaxation time diverges according to the Vogel-Fulcher relationship with the following parameters: dipole activation energy EA=2123 K, glassy state temperature T0=52.7 K, shortest relaxation time, referring to dipole relaxations at very high temperatures, τ0=2.1·10–14 s. (© 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
Critical Exponents and Randomness in SrTiO3 : Ca
1994
Since its discovery, the SrTiO3: Ca system is known to exhibit a number of features which were thought to arise from an impurity induced disorder. Non-linear dielectric measurements are used to obtain a more quantitative insight into this disorder. For 0.001 < xCa < 0.05, it is found that the non-linear susceptibility diverges at low temperatures. This is similar to what was previously reported in the dielectric random system KTaO3: Na. A method is proposed to quantify the contribution of the disorder to the non-linearities. It is found that the deviation from a true ferroelectric behaviour is not enough to call the low-temperature phase of SrTiO3: Ca a glass one. The maximum non-linearity …
Domain wall splitting and creation of the fine domain structure
1998
Abstract The study of the movement of the paraelectric-ferroelectric interphase boundary in (Ba,Sr)TiO 3 with concentration change is provided in the framework of the mean-field theory. The analytical solution for the parameters of motion of the interphase boundary is applied to the calculations of the splitting of domain walls in (Ba,Sr)TiO 3 for different concentrations of Sr. The calculations are based on the experimental data for the Curie–Weiss constant and for the parameters of the Landau–Ginzburg expression for the free energy.