Search results for "engineering.material"
showing 10 items of 2352 documents
Size effects of static and dynamic polarization in ferroelectric thin film multilayers
2001
Abstract A thermodynamic theory for the calculation of static and dynamic polarization profiles of ferroelectric thin film multilayers is developed. The free energy functional is written down using a multilayer model in which c-domain layers of the ferroelectric material alternate with a-domain layers of a second ferroelectric materials. We assume that the interfaces are perfectly sharp and that the polarization at these boundaries is zero. The equilibrium polarization profile, its temperature and thickness dependencies were determined from the solutions of the Euler-Lagrange equations. A thickness induced ferroelectric phase transition is shown to exist and its transition temperature and c…
Structural evolution of theCuGaO2delafossite under high pressure
2004
We have performed pseudopotential calculations and x-ray-diffraction and x-ray-absorption measurements on the ${\mathrm{CuGaO}}_{2}$ delafossite under high pressure. We have completely characterized the structural behavior of the low pressure phase. We have found out that the a axis is more compressible than the c axis, and as a consequence the oxygen octahedra defined by the gallium environment tend to become more regular under high pressure. We have determined the internal parameter describing the oxygen position inside the unit cell, and seen that it is nearly constant when pressure is applied. We have observed an irreversible phase transition affecting the copper environment but not the…
Crystal chemistry and phase transitions in mixed niobates crystallizing with tetragonal tungsten bronze structure
1990
Abstract New compounds crystallizing with tungsten bronze structure are reported. A dielectric study and X-ray analysis at various temperatures have allowed to describe some phase transitions.
Room-temperature paramagnetoelectric effect in magnetoelectric multiferroics Pb(Fe1/2Nb1/2)O3 and its solid solution with PbTiO3
2015
We have observed the magnetoelectric (ME) response at room temperature and above in high-resistive ceramics made of multiferroic Pb(Fe1/2Nb1/2)O3 (PFN) and PFN-based solid solution 0.91PFN-0.09PbTiO3 (PFN-PT). The value of the paramagnetoelectric (PME) coefficient shows a pronounced maximum near the ferroelectric-to-paraelectric phase transition temperature, T C, and then decreases sharply to zero for T > T C. The maximal PME coefficient in PFN is about 4 × 10−18 s/A. The theoretical description of the PME effect, within the framework of a Landau theory of phase transitions allowing for realistic temperature dependences of spontaneous polarization, dielectric and magnetic susceptibilities, …
Molecular dynamics study of high-pressure alumina polymorphs with a tight-binding variable-charge model
2016
Abstract A tight-binding variable-charge model aimed at performing large-scale realistic simulations of bulk, surfaces and interfaces of aluminum oxides have been developed. This model is based on the charge equilibration (QEq) method and explicitly takes into account the mixed iono–covalent character of the metal–oxygen bond by means of a tight-binding analytical approach in the second-moment approximation of the electronic structure. The parameters of the model were optimized to reproduce structural and energetic properties of the α-Al2O3 corundum structure at room temperature and pressure. The model exhibits a good transferability between five alumina polymorphs: corundum, Rh2O3(II)-type…
LEAD-FREE (Na0.5Bi0.5)1-xBaxTiO3 SINGLE CRYSTALS (0 ≤ x ≤ 0.05) AND THEIR DIELECTRIC AND PYROELECTRIC PROPERTIES
2009
ABSTRACT Lead-free single crystals of Na0.5Bi0.5TiO3-BaTiO3 (NBT-BT) system were prepared by Czochralski method and their dielectric and pyroelectric properties have been studied. The results were compared with these for pure NBT. The obtained samples show pure perovskite structure with rhombohedral symmetry at room temperature. Low frequency (100 Hz–100 kHz) investigations reveal the diffuse phase transitions. The obtained results are discussed in terms of local electric and strain fields caused by different ionic radius of (Na, Bi) and Ba ions. The NBT-BT system is expected to be a new promising candidate for lead-free electronic crystals.
Transition path to a dense efficient-packed post-delafossite phase. Crystal structure and evolution of the chemical bonding
2021
We are thankful for the financial support received from the Spanish Ministerio de Ciencia e Innovación and the Agencia Estatal de Investigación under national projects PGC2018-094417-B-I00 (co-financed by EU FEDER funds), MAT2016-75586-C4-1-P/2-P, FIS2017-83295-P, PID2019-106383GB-C41/C42 and RED2018- 102612-T (MALTA Consolider), and from Generalitat Valenciana under project PROMETEO/2018/123. D.S-P, A.O.R, and J.A.S acknowledge financial support of the Spanish MINECO for the RyC-2014-15643, RyC-2016-20301, and RyC-2015-17482 Ramón y Cajal Grants, respectively.
Co-flow microfluidic synthesis of liquid crystalline actuating Janus particles
2016
A microfluidic synthesis of stimuli-responsive actuating Janus particles composed of a liquid crystalline elastomer (LCE) and a polymeric hydrogel is reported. , In this article the microfluidic synthesis and characterization of micrometer sized actuating Janus particles containing a liquid crystalline elastomer (LCE) is presented. On one side these Janus particles consist of a hydrophobic liquid crystalline part, featuring strong shape changes during the thermotropic phase transition, whereas the other side contains a hydrophilic polyacrylamide network. The synthesis is based upon the dispersion of two immiscible monomer mixtures in a continuously flowing silicone oil, using two glass capi…
Investigation of Solid-Liquid Phase Transition for Sn-54wt%In Alloy by Positron Anihilation Spectroscopy
1995
The peak coincidence counting rate F(T) was measured for Sn-54wt%In alloy at the temperature range from room temperature to 400°C. It was observed that for both heating and cooling run, F(Τ) parameter changes . in the liquid phase. These changes were related to disintegration of SnII microcrystals. From a simple trapping model the defect disintegration enthalpy, H1,, was calculated. For heating and cooling run, the value of H1 was 0.53 ± 0.03 eV and 0.67 ± 0.07 eV, respectively. For well-annealed and cold rolled samples we find only one component, equal 200 ps, in the lifetime spectrum. PACS numbers: 64.70.Dv, 61.72.Cc, 78.70.Bj.
Pressure-induced structural and semiconductor-semiconductor transitions in Co0.5Mg0.5Cr2O4
2018
The effect of pressure on the structural, vibrational, and electronic properties of Mg-doped Cr bearing spinel $\mathrm{C}{\mathrm{o}}_{0.5}\mathrm{M}{\mathrm{g}}_{0.5}\mathrm{C}{\mathrm{r}}_{2}{\mathrm{O}}_{4}$ was studied up to 55 GPa at room-temperature using x-ray diffraction, Raman spectroscopy, electrical transport measurements, and ab initio calculations. We found that the ambient-pressure phase is cubic (spinel-type, $Fd\overline{3}m$) and underwent a pressure-induced structural transition to a tetragonal phase (space group $I\overline{4}m2$) above 28 GPa. The ab initio calculation confirmed this first-order phase transition. The resistivity of the sample decreased at low pressures …