Search results for "Strontium titanate"
showing 7 items of 37 documents
Cobalt in strontium titanate based perovskites: preparation, characterization and role in the photocatalytic propene partial oxidation
2016
Strontium titanate perovskite (SrTiO3) and analogous materials in which Y partially substitutes Sr have been prepared as basis to integrate Co in the structure. The Co inserrtion has been performed by wet impregnation or coprecipitation methods. The obtained powders have been physico-chemically characterized and tested as photocatalysts in the propene partial oxidation by using a solar simulating reactor. Correlation between photocatalytic performance and physicochemical characteristics of the different catalysts allows to assess a key role of local nanostructuring of CoOx sites on the selectivity and distribution of products.
Ab initiothermodynamics ofBacSr(1−c)TiO3solid solutions
2005
Based on ab initio calculations for a number of the ${\mathrm{Ba}}_{\mathrm{c}}{\mathrm{Sr}}_{(1\ensuremath{-}\mathrm{c})}\mathrm{Ti}{\mathrm{O}}_{3}$ (BST) superlattices, we developed a thermodynamic approach to these solid solutions. In particular, we calculate the BST phase diagram and show that at relatively low temperatures (below $400\phantom{\rule{0.3em}{0ex}}\mathrm{K}$ for $c=0.5$ and $300\phantom{\rule{0.3em}{0ex}}\mathrm{K}$ for $c=0.1$) the spinodal decomposition of the solid solution occurs. As a result, we predict for small Ba concentrations formation of $\mathrm{Ba}\mathrm{Ti}{\mathrm{O}}_{3}$ nanoregions in a predominantly $\mathrm{Sr}\mathrm{Ti}{\mathrm{O}}_{3}$ matrix and …
Atomistic simulation of SrTiO3 and BaTiO3 (110) surface relaxations
2000
Abstract The (110) surface relaxations were calculated for SrTiO 3 and BaTiO 3 perovskites in a cubic phase. Using a shell model, the positions of atoms in 16 near- surface layers placed atop a slab of rigid ions are calculated. The strong surface rumpling and induced surface dipole moments perpendicular to the surface are predicted for both the O-terminated and TiO-terminated surfaces.
Theoretical Simulations of Surface Relaxation for Perovskite Titanates
2000
The (100) and (110) surface relaxations are calculated for SrTiO3 and BaTiO3 perovskite thin films Using a semiempirical 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 perpendicular to the surface are calculated for different surface terminations. Surface relaxation is found much larger for the (110) surface. Our results for the (100) surfaces are compared with ab initio calculations and LEED experiments.
Céramiques diélectriques commandables pour applications micro-ondes : composites à base de titanate de baryum-strontium et d'un oxyde non ferroélectr…
2001
Since the last decades, dielectric ceramics have been considered as attractive for microwave applications as tunable dielectric resonators or phase shifters. For that, ceramic devices should be tunable – change in dielectric constant with applied voltage- with moderate to low dielectric constant (30 to 1000) and loss tangent as low as possible. To reconcile these properties, composite ceramics based on Ba0.6Sr0.4TiO3 (BSTO) and a non-ferroelectric oxide with a low dielectric constant (MgTiO3 or MgO) were synthesised. The aim of this study was to correlate the microstructure with the dielectric properties, especially the Curie temperature and the dielectric relaxation phenomena.Ceramics with…
A new phase in ferroelectric oxides: The phase of charge transfer vibronic excitons
2001
It is shown, by means of Hartree-Fock-type calculations using the intermediate neglect of the differential overlap (INDO) method, that polaronic-type charge transfer vibronic excitons (CTVE) in ferroelectric oxides could lead to the formation of a new phase. The ground-state energy of this phase of strongly correlated CTVE lies within an optical gap of pure crystal, and is characterized by a strong tetragonal lattice distortion, as well as ferroelectric and antiferromagnetic ordering. It is shown also that clusters of the CTVE phase being stabilized by oxygen vacancies could be responsible for the unusually strong optical Second Harmonic Generation (SHG) in nominally pure incipient ferroele…
Local Structure Studies of Ti for SrTi16O3 and SrTi18O3 by Advanced X-ray Absorption Spectroscopy Data Analysis
2015
Strontium titanate is a model quantum paraelectric in which in the region of dominating quantum statistics the ferroelectric instability is inhibited due to nearly complete compensation of the harmonic contribution into ferroelectric soft mode frequency by the zero-point motion contribution. The enhancement of atomic masses by the substitution of 18O for 16O decreases the zero-point atomic motion and low-T ferroelectricity in SrTi18O3 is realized. In this study we report on the local structure of Ti in SrTi16O3 and SrTi18O3 by Ti K-edge extended x-ray absorption fine structure measurements in temperature range 6 – 300 K.