Search results for "spinel"
showing 10 items of 103 documents
First-principles electronic structure of spinelLiCr2O4:A possible half-metal
2004
We have employed first-principles electronic structure calculations to examine the hypothetical (but plausible) oxide spinel, ${\mathrm{LiCr}}_{2}{\mathrm{O}}_{4}$ with the ${d}^{2.5}$ electronic configuration. The cell (cubic) and internal (oxygen position) structural parameters have been obtained for this compound through structural relaxation in the first-principles framework. Within the one-electron band picture, we find that ${\mathrm{LiCr}}_{2}{\mathrm{O}}_{4}$ is magnetic, and a candidate half-metal. The electronic structure is substantially different from the closely related and well-known rutile half-metal ${\mathrm{CrO}}_{2}.$ In particular, we find a smaller conduction-band width…
Effect of some additives on the development of spinel-based glass-ceramic glazes for floor-tiles
2005
Abstract The feasibility of developing spinel-based glass-ceramic glazes from a glass with composition in the system ZnO–MgO–B 2 O 3 –Al 2 O 3 –SiO 2 was examined. To do it additional fluxes and/or nucleants were added to a parent glass before melting. Pressed pellets of powdered glasses were submitted to standard thermal treatments up to 1200 °C. The crystallization path and the microstructural development at several temperatures were followed by several experimental techniques. The results showed that additions of TiO 2 as nucleant or additional B 2 O 3 as flux to the chosen glass favored the crystallization of cordierite or mullite as main crystalline phase. Glasses which also contained …
Folate targeted coated SPIONs as efficient tool for MRI
2017
The development of more sensitive diagnostic tools allowing an early-stage and highly efficient medical imaging of tumors remains a challenge. Magnetic nanoparticles seem to be the contrast agents with the highest potential, if properly constructed. Therefore, in this study, hybrid magnetic nanoarchitectures were developed using a new amphiphilic inulin-based graft copolymer (INU-LAPEG-FA) as coating material for 10-nm spinel iron oxide (magnetite, Fe3O4) superparamagnetic nanoparticles (SPION). Folic acid (FA) covalently linked to the coating copolymer in order to be exposed onto the nanoparticle surface was chosen as the targeting agent because folate receptors are upregulated in many can…
Site symmetry approach applied to the supercell model of MgAl2O4 spinel with oxygen interstitials: Ab initio calculations
2018
This study has been carried out within the framework of the EUROfusion Consortium and has been provided funding from the Euratom research and training programme 2014-2018 under grant agreement No 633053. The authors are indebted to E.A. Kotomin, A.I. Popov and R. Vila for stimulating discussions. The views and opinions expressed herein do not necessarily reflect those of the European Commission. Calculations have been performed using both the Marconi supercomputer system at the Computational Simulation Centre (Italy) and the Computer Center of St. Petersburg State University.
Atomic layer deposition of LixTiyOz thin films
2013
Atomic layer deposition (ALD) was employed to deposit ternary films of LixTiyOz. The film growth at a deposition temperature of 225 °C was studied using both titanium tetra-isoropoxide (Ti(OiPr)4) and titanium tetrachloride (TiCl4) as titanium precursors. Lithium tert-butoxide (LiOtBu) was applied as the lithium source and water was used as the oxygen source for all metal precursors. The type of titanium precursor chosen strongly affected film growth: with TiCl4 the resulting LixTiyOz films were highly air-sensitive and the lithium concentration was low, whereas with Ti(OiPr)4 the films were relatively stable in air and with a lithium content which was easily controlled over a wide range. F…
Crystallization and microstructural development of nickel-containing aluminosilicate glasses with cordierite stoichiometry
2001
Abstract The crystallization behaviour of two glasses with chemical compositions MAl2O4/SiO2=1/2.5, being MNi and equimolar mixtures of Mg and Ni, was investigated. Glasses were prepared by cooling samples melted at 1650 °C. During thermal treatment over the range of temperature up to 1200 °C both glasses were first crystallized to form a β-quartz solid solution, then transformed to α-cordierite or spinel depending on the amount of nickel. The temperatures of both the crystallization of β-quartz solid solution and its further transformation were also dependent on the nominal amount of nickel. Lower temperatures were found for glasses with a large amount of nickel. UV–Vis diffuse reflectanc…
Spark plasma sintering of cobalt ferrite nanopowders prepared by coprecipitation and hydrothermal synthesis.
2007
International audience; Cobalt ferrite exhibits a high coercivity at room temperature and a strong magnetic anisotropy compared to the other spinel ferrites and, consequently appears as an interesting material for permanent magnets and high-density recording. The magnetic properties depend also on the crystallite size. In order to keep the powder properties in a bulk material, dense nanostructured cobalt ferrite has to be sintered. A field activated sintering process like spark plasma sintering (SPS) may be promising for such challenge. The present paper deals with: (i) the preparation of cobalt ferrite by two methods: coprecipitation and hydrothermal synthesis in supercritical water; (ii) …
Apparent magic numbers in embedded Ti-O clusters
2003
Stable clusters constituted of four ${\mathrm{TiO}}_{2}$ entities have been evidenced in nanometer-sized spinel oxides by a combination of diffraction and x-ray-absorption experiments. Contrary to free clusters, the size of the embedded clusters is strongly determined by the constraints imposed by the surrounding matrix so that the magic number of four is in fact specific to the matrix and only then apparent.
High-pressure crystal structure investigation of synthetic Fe2SiO4 spinel.
2011
AbstractThe crystal structure of Fe2SiO4 spinel at room temperature was investigated at seven different pressures by X-ray diffraction, using a diamond anvil cell to examine the influence of Fe substitution on ringwoodite behaviour at high pressure. The results compared with those of a pure Mg endmember show that the substitution of Fe into the spinel structure causes only small changes in the compression rate of coordination polyhedra and the distortion of the octahedron. The data show that the compression rate for the octahedron and tetrahedron in (Mg,Fe)2SiO4 can be considered statistically equal for FeO6 and MgO6, as well as for SiO4 in both the endmembers. This shows why almost identic…
High-pressure x-ray diffraction andab initiostudy ofNi2Mo3N,Pd2Mo3N,Pt2Mo3N,Co3Mo3N, andFe3Mo3N: Two families of ultra-incompressible bimetallic inte…
2010
We have studied by means of high-pressure x-ray diffraction the structural stability of ${\text{Ni}}_{2}{\text{Mo}}_{3}\text{N}$, ${\text{Co}}_{3}{\text{Mo}}_{3}\text{N}$, and ${\text{Fe}}_{3}{\text{Mo}}_{3}\text{N}$. We also report ab initio computing modeling of the high-pressure properties of these compounds, ${\text{Pd}}_{2}{\text{Mo}}_{3}\text{N}$ and ${\text{Pt}}_{2}{\text{Mo}}_{3}\text{N}$. We have found that the nitrides remain stable in the ambient-pressure cubic structure at least up to 50 GPa and determined their equation of state. All of them have a bulk modulus larger than 300 GPa. Single-crystal elastic constants have been calculated in order to quantify the stiffness of the i…