The B-site cation ordering in Ba(Zn1/3Nb2/3)O3 was studied using a combination of first-principles energy calculations, a cluster expansion technique, and Monte Carlo simulations. Our calculations indicate that the ground state is a 1:2 ordered hexagonal structure, in contrast to x-ray diffraction observations, but consistent with recent Raman work by Kim et al. The order–disorder transition between the 1:2 ordered phase and the cubic perovskite phase is predicted to occur at approximately 2480 K. This prediction indicates that Ba(Zn1/3Nb2/3)O3 in equilibrium should be fully ordered at all practical temperatures. These results indicate that Ba(Zn1/3Nb2/3)O3, previously considered to be disordered, may be ordered on a local scale, consistent with its good microwave characteristics.

The microstructure of samples before and after a high current density electropulsing treatment was characterized by using high-resolution transmission electron microscopy. It has been found that in the coarse-grained Cu–Zn alloy subjected to the electropulsing treatment, two nanophases were formed, α–Cu(Zn) and β′–(CuZn), the average grain size of which is about 11 nm. A possible mechanism for the formation of nanophases was proposed. The experimental results indicated that electropulsing, as an instantaneous high-energy input, plays an important role in the nonequilibrium microstructural changes in materials and serves as a potential processing approach to synthesize nanostructured materials.

Mechanical properties of 2H–NbS2 and its intercalation derivative Nax(H2O)yNbS2 were measured by using nanoindentation techniques. The intercalation chemical process was conducted in solution and the cation–hydrated derivative produced was [Nax(H2O)yNbS2]. It was observed that the intercalation process occurs through the crystal edges producing a wave intercalation's front that moved as the reaction proceeded. The hardness and elastic modulus presented very low values in the intercalated region. The load × displacement curves from nanoindentation tests suggested that intercalation of hydrated sodium ions through the edges caused layer separation even in the nonintercalated region at the center of the crystal. It is important to emphasize that no similar studies were found in the literature about this theme. Intercalation process is very important in several areas, like solid-state batteries, and mechanical properties of these kinds of materials are not completely understood. This study is a new approach to understanding the mechanical behavior of layered materials submitted to an intercalation process.

A polycrystalline sample of Bi2InNbO7 was synthesized by a solid-state reaction and characterized by powder x-ray diffraction and Rietveld structure refinement. The optical absorption and electrical properties of Bi2InNbO7 were investigated. It was found that the Bi2InNbO7 compound exhibited a direct gap semiconducting behavior. Conductivity measurement showed the compound had an activation energy of 2.62(5) eV. Ultraviolet–visible diffuse reflectance spectroscopy measurement revealed that the band gap of Bi2InNbO7 is about 2.7(4) eV.

Synthesis of a rutile-type lead-substituted tin oxide with (110) face was investigated. The characterization was performed by x-ray diffraction, scanning electron microscopy, transmission electron microscopy, energy dispersive x-ray spectroscopy, infrared spectroscopy, x-ray photoelectron spectroscopy, and Brunauer–Emmett–Teller surface area measurements. The homogeneous rutile-type lead-substituted tin oxide was obtained until 4.1 mol% of tin was substituted with lead. The surface of obtained oxide had a homogeneously lead-substituted (110) face.

The effects of doping on the morphological and microstructural properties of TiO2 nanopowders produced by laser pyrolysis were investigated mainly by x-ray diffraction (XRD) and electron microscopy. Samples of TiO2 powders were prepared by doping with different trivalent cations (Al and Ga). The powders were calcined at different temperatures in the range 400–1000 °C for 18 h, as well as at constant T = 700 °C up to 160 h. After each thermal treatment, XRD patterns were collected. The analysis of XRD patterns allowed us to estimate the microstrains and average crystallite size and to observe the evolution of the microstructural parameters with temperature. Both Al and Ga inhibited the crystallite growth of TiO2 anatase and the rutile phases, this effect being larger in the Al-doped powders.

Chemical vapor deposition of carbon nanotubes by catalytic decomposition of acetylene on V2O5 microtube crystals is presented. The catalyst was prepared by laser irradiation of vanadium sheets and treated with cobalt acetate solution. The carbon deposits generated on this novel type of catalyst were characterized by transmission electron microscopy measurements. Both carbon nanofibers and carbon nanotubes were found to be formed. This catalyst system, generated by the combined laser irradiation and chemical impregnation methods, is a new and promising way to study the differences in the mechanism of the generation of nanostructures.

SrBi2Ta2O9 was synthesized by the modified polymeric precursor method using precursor reagents such as carbonate, nitrate, or oxide. The films were deposited onto Pt/Ti/SiO2/Si(100) substrates by spin coating and crystallized at temperatures ranging from 700 to 800 °C in air. Microstructural and phase evaluation were followed by grazing incidence x-ray diffraction, scanning electron microscopy, and atomic force microscopy. The films displayed rounded grain structures with a superficial roughness of approximately 10 nm. The dielectric constant values were 362 and 617 for films treated at 700 and 800 °C, respectively. The remanent polarization and coercive field were 12.3 μC/cm2 and 61 kV/cm and 18.48 μC/cm2 and 47 kV/cm for the film treated at 700 and 800 °C, respectively. This method generally allows for the use of readily available reagents such as oxides, carbonates, or nitrate as cation sources, with the added advantage that it requires no special apparatus or atmosphere control.

Material characterization of sol-gel-derived and electrodeposited MnO2 thin films showed that their microstructures are highly porous in nature. While sol-gel-derived films are nanoparticulate, electrodeposited films showed macropores of random and irregular platelike structures, comprising much denser surface layers and highly porous underlying layers. On the basis of calculated and theoretical density values of 1 and 4.99 g/cm3, respectively, the porosity of sol-gel-derived MnO2 films was determined to be as high as 80%, which is substantially higher than electrodeposited films at 67%. Apart from their higher specific capacitance, sol-gel-derived MnO2 films appeared to exhibit higher cycling stability and reversibility than electrodeposited MnO2 films. In the case of sol-gel films, thinner films appeared to exhibit higher cycling stability than thicker films. There was less alteration in surface morphology and microstructure, and the rate of loss in charge-storage capacity upon voltammetric cycling was not as significant for sol-gel MnO2 thin films

The Taylor–Ulitovski technique was employed for fabrication of tiny ferromagnetic amorphous and nanocrystalline metallic wires covered by an insulating glass coating with magnetic properties of great technological interest. A single and large Barkhausen jump was observed for microwires with positive magnetostriction. Negative magnetostriction microwires exhibited almost unhysteretic behavior with an easy axis transverse to the wire axis. Enhanced magnetic softness (initial permeability, μι, up to 14000) and giant magneto impedance (GMI) effect (up to 140% at 10 MHz) was observed in amorphous CoMnSiB microwires with nearly zero magnetostriction after adequate heat treatment. Large sensitivity of GMI and magnetic characteristics on external tensile stresses was observed. Upon heat treatment, FeSiBCuNb amorphous microwires devitrificated into a nanocrystalline structure with enhanced magnetic softness. The magnetic bistability was observed even after the second crystallization process (increase of switching field by more than 2 orders of magnitude up to 5.5 kA/m). Hard magnetic materials were obtained as a result of decomposition of metastable phases in Co–Ni–Cu and Fe–Ni–Cu microwires fabricated by Taylor–Ulitovski technique when the coercivity increased up to 60 kA/m. A magnetic sensor based on the magnetic bistability was designed.

A transparent magnetic particle/organic film was synthesized from an iron–organic compound. Iron(III) 3-allylacetylacetonate (IAA) was polymerized followed by in situ hydrolysis yielding an iron oxide particle/oligomer hybrid. The sizes of magnetic particles were dependent upon the hydrolysis conditions of the IAA oligomers. A nanometer-sized ferrimagnetic iron oxide particle/oligomer hybrid showed a magnetization curve with no coercive force at 300 K and that with Hc of 200 Oe at 4.2 K, respectively. The magnetization versus H/T curves at 300 and 77 K were superimposed on each other and satisfied the Langevin equation. The transparent hybrid film showed a magnetization curve at room temperature. The absorption spectrum of the film was shifted to higher energy by 0.14 eV compared with that of bulk magnetite. The absorption edge of the film was blue-shifted.

A titanium thin film was deposited on the flat (0001) face of a 6H–SiC by electron beam evaporation at room temperature in a vacuum of 5.1 × 10−8 Pa. The Ti film was epitaxially grown on the surface, and the interface between Ti and SiC was characterized by high-resolution electron microscopy. It was found that the structure of the deposited titanium is face-centered cubic (fcc), although bulk titanium metal usually has a hexagonal close-packed or body-centered cubic crystal structure. We believe that the unusual fcc structure of Ti thin film is due to the high adhesion of the film to the substrate and the high degree of coherency between them. The orientation relationship of the fcc-Ti/6H–SiC interface was (111)fcc-Ti//(0001)6H–SiC and [110]fcc-Ti//[1120]6H−SiC. Preliminary calculations indicate that this orientation relationship maximizes the lattice coherency across the interface.

Nanoparticles of barium europium zirconate, a complex perovskite oxide, were synthesized using a modified self-propagating combustion synthesis. The solid combustion products thus obtained were characterized by x-ray and electron diffraction, differential thermal analysis, thermogravimetric analysis, infrared spectroscopy, particle-size analysis, surface area determination, gas adsorption studies, and high-resolution transmission electron microscopy. According to the results of the x-ray and electron diffraction, as-prepared powder showed the single phase of barium europium zirconate (Ba2EuZrO5.5) without another phase and had a complex cubic perovskite (A2BB′O6) structure. The transmission electron microscopic investigation showed a mean grain size of 38 nm with a standard deviation of 12 nm. High-resolution lattice imaging of the nanoparticles indicated the possibility of finer crystallite in the particle having the same orientation. The nanoparticles of Ba2EuZrO5.5 obtained by the present method could be sintered to 97% theoretical density at a relatively low temperature of 1525 °C.

The formation of so-called Ruddlesden–Popper planar faults was studied in SrO-doped SrTiO3 for different quantities of SrO additions and sintering conditions. For small SrO additions we observed a microstructure with a uniform grain size distribution and the enrichment of SrO at the grain boundaries. Larger additions of SrO produced a microstructure of elongated grains containing random planar faults, polytypic lamellae of more or less ordered faults, and polytype loops within SrTiO3 grains. We showed that these SrTiO3 grains were elongated as a result of preferential growth of the polytypic lamellae. In addition, we discuss a correlation between the formation of planar faults embedded in the perovskite matrix at low firing temperatures and Ruddlesden–Popper phases that are stable at higher temperatures.

SiC nanometer powders were synthesized by the chemical vapor reaction of the SiH4–C2H4–H2 system in the temperature range between 1423 K and 1673 K. The effects of processing conditions such as reactive temperature, gas composition ratio, and total flow rate on powder characteristics were studied using transmission electron microscopy, x-ray diffraction, infrared, Brunauer–Emmett–Teller, and chemical analyses. A forming mechanism has been proposed for solid and hollow particles in different processing conditions. The experimental results concerning particle growth are discussed according to the model of G.D. Ulrich et al., which considers both collision and coalescence phenomena.

The structure of γ–α2 interfaces in deformed Ti–48Al–2Cr alloy was analyzed by high-resolution transmission electron microscopy (HREM) and image simulations. Growth of γ–TiAl plate in α2–Ti3Al phase was found to be a result of a ledge mechanism consisting of Shockley partial dislocations on alternate (0001)α2 planes. The height of the ledges was always a multiple of two (0001)α2 planes. The γ → α2 phase transformation was also an interface-related process. Large ledges of six close packed planes (111)γ high were often observed at the γ–α2 interface. Every large ledge consisted of six Shockley partial dislocations that originated from the γ–a2 interfacial lattice misfit. The movement of these partial dislocations accomplished the transformation of γ → α2 phase. Comparing the experimental and simulated HREM image, it was found that atomic reordering appears during the deformation-induced γ↔α2 transformation.

Chemical coprecipitation was employed to prepare fine particles of barium ferrite with high coercivity (450 kA/m). Magnetic properties of the bonded barium ferrite magnet were measured at different temperatures. The results were found to be fairly close to the theoretical values based on the Stoner–Wohlfarth model. Mechanical milling was utilized to prepare ultrafine dispersed barium ferrite particles. NaF was introduced as a dispersing agent during milling and subsequent heat treatment. The dispersed particles were compacted and then subjected to die upsetting at room temperature. A weak anisotropy in the coercivity and remanence was found in the directions parallel and perpendicular to the compaction direction.

The roles of NH3 · H2O and NH4HCO3 in the preparation of Ni particles from NiCl2 · 6H2O aqueous solution by ultrasonic spray pyrolysis were investigated. The results showed that both ammonia and ammonium bicarbonate had a remarkable influence on the solution chemistry and the resulting particles, and could significantly modify the reaction pathway. After the addition of these additives to the precursor solution, intermediate NiO was formed initially, followed by reduction to metallic Ni in the presence of a reductive gas. H2 is a powerful reducing agent; however, metallic Ni could also be obtained in the absence of H2 in the carrier gas. In the latter case, it was shown that NH3 was primarily responsible for Ni formation. A description of the mechanisms and processes of Ni formation during spray pyrolysis is proposed.

The formation energies and electronic structure of zinc vacancies and oxygen interstitials at a tilt boundary of ZnO were investigated by a combination of static lattice and first-principles molecular orbital methods. For both of the defect species, the formation energies were lower than those of the bulk defects at certain sites in the grain boundary. The defects with low formation energies formed electronic states close to the top of the valence band. The interfacial electronic states observed experimentally in ZnO varistors cannot be explained solely by the point defects associated with the oxygen excess: the effects of impurities should be significant for the states.

Amorphous iron oxide (Fe2O3) was prepared by the pyrolysis of iron pentacarbonyl [Fe(CO)5] in a modified domestic microwave oven in refluxing chlorobenzene as a solvent under air. The reaction time was 20 min. Partially separated particles of iron oxide, 2–3 nm in diameter, were obtained. The other part showed aggregated spheres with a diameter of 25–40 nm. Differential scanning calorimetry measurements showed an amorphous/crystalline phase transition at about 250 °C.