Materials Literature
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A simple model is proposed to calculate the resistivity, magnetoresistance, and noise spectrum in nonmetallic phase-separated manganites containing small metallic droplets (magnetic polarons). The system is taken to be far from the percolation transition into a metallic state. It is assumed that the charge transfer oc…
Six molecular complexes formed between 4-hydroxy-4‘-nitrobiphenyl/stilbene and a 4-substituted pyridine-1-oxide [methyl ( 1, 2 ), cyano ( 3, 4 ), and nitro ( 5, 6 )] have been studied with the specific aim of assessing a new design strategy for the molecular complexation of new materials that show quadratic nonlinear…
In this study, axisymmetric drop shape analysis-profile (ADSA-P) and atomic force microscopy (AFM) were employed to study the surface features of polypropylene (PP) and hydrosilylated polypropylene (SPP). Static and dynamic contact angles were measured using ADSA-P. Water permeability was calculated from the results o…
We investigate aggregation properties of a liquid crystalline colloid formed by dispersing small PMMA particles in thermotropic nematic liquid crystal 5CB. Upon cooling a low-concentration homogeneous mixture below the clearing point of the nematic phase, polymeric particles aggregate into cellular structures, causing…
The dissolution kinetics of β-tricalcium phosphate (β-TCP) was investigated at 37 °C using the constant composition (CC) method over a range of undersaturation. The rates decreased markedly with time despite the sustained driving force and eventually approached zero, indicating a critical condition in the dissolution…
A new series of photocatalysts, Bi 2 MNbO 7 (M = Al 3+, Ga 3+, In 3+ ), were synthesized by solid-state reaction and characterized by powder X-ray diffraction and Rietveld structure refinement. The substitution effect of In 3+ by Al 3+ and Ga 3+ on the photocatalytic and structural properties of the Bi 2 InNbO 7 photo…
Light illumination produces major, interesting changes of the electrical properties of oxygen deficient ${\mathrm{La}}_{2/3}{\mathrm{Sr}}_{1/3}{\mathrm{MnO}}_{3\ensuremath{-}\ensuremath{\delta}}$ thin films. At small oxygen deficiency, the classical insulator-metal $(I\ensuremath{-}M)$ transition at a temperature ${T}…
Piezoelectric and dielectric measurements were performed on different batches of polarized NaNbO 3 ceramics. It has been established that, as a result of polarization, in these ceramics there appears a metastable ferroelectric phase existing for a long time. The presence of this phase manifests itself as a piezoelectr…
We report the preparation and solid-state characterization of the perchlorophenalenyl radical (1). The radical is initially obtained as a yellow-green solid by reduction of the perchlorophenalenium salt (12(+)). This solid sublimes in a sealed tube to give black shiny hexagonal crystals of the perchlorophenalenyl radi…
An efficient method is described to handle mesh indexes in multidimensional problems like numerical integration of partial differential equations, lattice model simulations, and determination of atomic neighbor lists. By creating an extended mesh, beyond the periodic unit cell, the stride in memory between equivalent…
The performance of basis sets made of numerical atomic orbitals is explored in density-functional calculations of solids and molecules. With the aim of optimizing basis quality while maintaining strict localization of the orbitals, as needed for linear-scaling calculations, several schemes have been tried. The best pe…
We study the influence of surface roughness on the adhesion of elastic solids. Most real surfaces have roughness on many different length scales, and this fact is taken into account in our analysis. We consider in detail the case when the surface roughness can be described as a self affine fractal, and show that when…
We describe a method for calculating the exchange and correlation (XC) contributions to the total energy, effective potential, and stress tensor in the generalized gradient approximation. We avoid using the analytical expressions for the functional derivatives of E_xc*rho, which depend on discontinuous second-order de…
Homogeneous films of Au@SiO 2 particles have been deposited on glass as a prototype 3D “artificial solid” using the LBL method. The film thickness is controlled by the number of dipping cycles and is measured by AFM. Each cycle results in approximately one monolayer of particles being deposited. The particle films are…
Carbon nanoparticles were prepared from H2 and CH4 at various temperatures. The carbon nanoparticles were well graphitized, and the degree of graphitization increased with increasing growth temperature. Field-emission measurements showed that the carbon nanoparticles were excellent electron field emitters, comparable…
We explored the feasibility of employing strontium titanate (SrTiO3) as semiconducting material in field-effect metal–insulator–semiconductor epitaxial heterostructures. This idea was suggested by the observation of a dramatic effect of the oxygen deficiency on SrTiO3−δ transport properties, which brings about metalli…
This letter reports on a process to prepare nanostructured PbTiO3 (PT) at room temperature with photoluminescence (PL) emission in the visible range. This process is based on the high-energy mechanical milling of ultrafine PbTiO3 powder. The results suggest that high-energy mechanical milling modifies the particle’s s…
Modeling the conductive channel as a series of ferromagnetic (FM) domain with resistivity of ${\ensuremath{\rho}}_{\mathrm{FM}}$ and paramagnetic (PM) region with resistivity of ${\ensuremath{\rho}}_{\mathrm{PM}},$ we propose a phenomenological equation for resistivity as $\ensuremath{\rho}=[1\ensuremath{-}f(T,H)]{\en…
The spontaneous generation of voltage has been observed during the first-order magnetic-Martensitic phase transition process in ${\mathrm{Gd}}_{5}{(\mathrm{S}\mathrm{i}}_{x}{\mathrm{Ge}}_{4\ensuremath{-}x})$ alloys regardless of whether the transformation is triggered by temperature or magnetic field. Based on various…
In a diffusion-controlled interaction, the Kirkendall plane, as marked by inert particles placed at the original contact surface of a reaction couple, need not be unique. Multiple planes can develop, and sometimes the Kirkendall plane does not exist at all. A phenomenological approach is introduced to rationalize the…