Search results for " diffraction"
showing 10 items of 896 documents
Experimental and theoretical evidence for substitutional molybdenum atoms in theTiO2(110)subsurface
2006
Molybdenum was deposited at room temperature on the ${\mathrm{TiO}}_{2}(110)$ surface in the 0--1.3 equivalent monolayer (eqML) range and was then annealed at $400\phantom{\rule{0.2em}{0ex}}\ifmmode^\circ\else\textdegree\fi{}\mathrm{C}$ in order to reach a kind of equilibrium state. A threshold was found in the behavior of the deposit: below 0.2 eqML, substitutional molybdenum occurs in titanium sites located under the bridging oxygen atoms of the ${\mathrm{TiO}}_{2}(110)$ surface. In this position, molybdenum atoms are in a structural and chemical ${\mathrm{MoO}}_{2}$-like environment. Density-functional theory calculations show that this molybdenum site is actually the most stable one in …
Influence of Axial Pressure on the Electrical Properties of Li0.06Na0.94NbO3 Ceramic
2011
Lead-free ceramic Li0.06Na0.94NbO3 was synthesized using a conventional solid-state processing. The single-phase perovskite structure was identified by X-ray powder diffraction technique. The values of lattice parameters of Li0.06Na0.94NbO3 are lower than those for pure NaNbO3. The EDS analysis shows the fairly homogeneous distribution of all elements throughout the grains. An axial pressure significantly influences electric properties. With increasing pressure the peak intensity in the ϵ(T) curve decreases, the peak becomes diffused and shifts to a lower temperature. The value of tanδ increases with increasing axial pressure and its local maximum shifts towards lower temperatures.
Structural and electronic properties ofβ-FeSi2nanoparticles: The role of stacking fault domains
2014
We use conventional and aberration-corrected transmission electron microscopy (TEM) and ab initio calculations to investigate the structural and electronic properties of \ensuremath{\beta}-FeSi${}_{2}$ nanoparticles, which are a promising material for photovoltaic applications due to a band gap of 1 eV and a high absorption coefficient. The nanoparticles have average sizes of \ensuremath{\sim}20 nm, form aggregates, and are prepared by gas-phase synthesis. Amorphous SiO${}_{x}$ shells with thicknesses of \ensuremath{\sim}1.7 nm around \ensuremath{\beta}-FeSi${}_{2}$ cores are identified on individual nanoparticles using electron energy-loss spectroscopy, while stacking fault domains in the …
A multi-technique characterisation of cronstedtite synthetized by iron-clay interaction in a step by step cooling procedure
2013
International audience; The cooling of steel containers in radioactive-waste storage was simulated in a step-by-step experiment from 90 to 40 degrees C. Among newly formed clay minerals observed in run products, cronstedtite was identified by a number of analytical techniques (powder X-ray diffraction, transmission electron microscopy, and scanning electron microscopy). Cronstedtite has not previously been recognized to be so abundant and so well crystallized in an iron-clay interaction experiment. The supersaturation of experimental solutions with respect to cronstedtite was due to the availability of Fe and Si in solution, as a result of the dissolution of iron metal powder, quartz, and m…
Proteins in amorphous saccharide matrices: Structural and dynamical insights on bioprotection
2013
Bioprotection by sugars, and in particular trehalose peculiarity, is a relevant topic due to the implications in several fields. The underlying mechanisms are not yet clearly elucidated, and remain the focus of current investigations. Here we revisit data obtained at our lab on binary sugar/water and ternary protein/sugar/water systems, in wide ranges of water content and temperature, in the light of the current literature. The data here discussed come from complementary techniques (Infrared Spectroscopy, Molecular Dynamics simulations, Small Angle X-ray Scattering and Calorimetry), which provided a consistent description of the bioprotection by sugars from the atomistic to the macroscopic …
Microwave-induced electromigration in multicomponent metallic alloys
2010
The crystallization of amorphous FeCoCuZrAlSiB alloy ribbons during microwave heating was investigated in situ using time-resolved X-ray powder diffraction. The formation of the nanocrystalline α-(Fe,Co)(SiAl) phase during the primary crystallization stage is followed by the crystallization of the residual glassy matrix. Scanning electron microscopy analysis after microwave exposure reveals the formation of nanosized hillocks evenly distributed over the ribbon surfaces. Local chemical composition analysis by energy-dispersive spectroscopy shows that the surface clusters are enriched in Cu and Al. The occurrence of this typical electromigration effect imposes a strong restriction on the dura…
Elastic and quasielastic neutron scattering studies in KBr:KCN mixed crystals
1989
Neutron scattering studies in (KBr)1–x(KCN)x mixed crystals are presented utilizing powder diffraction, single crystal diffraction and time-of-flight techniques. Forx>0.6 (KBr)1–x(KCN)x crystals exhibit ferroelastic and ferroelectric low-temperature phases. Crystals withx<0.6 undergo transitions into an orientational glass state. Here we present a detailed phase diagram including new results for x=0.85 and x=0.65. For the latter system a stable rhombohedral low-temperature phase has been detected where the orientational disorder of the plastic phase is only partly removed and quadrupolar relaxations between three body diagonals are still possible. From the powder diffraction experimen…
Electronic, structural, and magnetic properties of the half-metallic ferromagnetic quaternary Heusler compounds CoFeMnZ(Z=Al, Ga, Si, Ge)
2011
The quaternary intermetallic Heusler compounds CoFeMn$Z$ ($Z=\text{Al}$, Ga, Si, or Ge) with $1:1:1:1$ stoichiometry were predicted to exhibit half-metallic ferromagnetism by ab initio electronic structure calculations. The compounds were synthesized using an arc-melting technique and the crystal structures were analyzed using x-ray powder diffraction. The electronic properties were investigated using hard x-ray photoelectron spectroscopy. The low-temperature magnetic moments, as determined from magnetization measurements, follow the Slater-Pauling rule, confirming the proposed high spin polarizations. All compounds have high Curie temperatures, allowing for applications at room temperature…
Thermodynamic and neutron diffraction studies of the nucleation of solid4He on graphite
1982
The nucleation of solid layers of4He on the surface of exfoliated graphite (Grafoil) was investigated by thermodynamic and neutron diffraction measurements. The thermodynamic measurements consisted of recording isopycnals in the vicinity of the melting curve. The isopycnals show a rounding in comparison to the bulk ones, which can be explained by a continuous solidification of4He on the surface of graphite in a layer-by-layer mode in the van der Waals field of the substrate. Moreover, we found a hysteresis behavior of the isopycnals, probably due to defect states in the solidified film. The thickness of the solid film is estimated by means of a simple solidification model. The neutron diffr…
Neutron scattering study of melting ofHe3surface layers
1982
The melting of the incommensurate phase of $^{3}\mathrm{He}$ submonolayers adsorbed on Grafoil was investigated by elastic neutron scattering. The temperature dependence of the nearest-neighbor distance, the coherence length, and the peak intensity of the structure factor can be explained by a simple model assuming a melting transition which is driven by thermally created lattice defects.