Materials Literature
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In a recent letter, J. P. Wright et al [Phys. Rev. Lett. 87,266401 (2001) and cond-mat/0111119] have investigated the crystal structure of magnetite below the Verwey transition temperature (TV) by means of X-ray and neutron powder diffraction. We show that the interpretation given by J. P. Wright et al. is unsupported…
The structural and electronic properties of a single pentacene molecule and a pentacene molecular crystal, an organic semiconductor, are examined by a first-principles method based on the generalized gradient approximation of density functional theory. Calculations were carried out for a triclinic unit cell containing…
Hybrids of silver particles of 1 to 2 nm in size with highly branched amphiphilically modified polyethyleneimines adhere effectively to polar substrates providing environmentally friendly antimicrobial coatings.
The theoretical study of spin-crossover compounds is very challenging as those parts of the experimental findings that concern the electronic structure of these compounds can currently hardly be reproduced because of either technical limitations of highly accurate ab initio methods or because of inaccuracies of densit…
A convenient route at ambient conditions was employed to prepare narrow-dispersed ZnO nanorods in terms of size and morphology. Transmission electron microscopy and X-ray diffraction were used to characterize the structurally uniform and well-proportioned products. The as-prepared specimen exhibits strong ultraviolet…
Reducing interconnect pitch improves layout density, but degrades interconnect RC delay. Increasing metal aspect ratio (thickness/width) improves RC delay, but maximum benefits are achieved at an aspect ratio of /spl sim/2. Adding more interconnect layers improves density and performance, but practical limits are reac…
The first-principles discrete variational method, within the framework of density-functional theory, is employed to study the process of Fe grain boundary brittle cleavage and surface formation. The calculated results show that the main changes in this process take place in the fracture bonds and surface bonds. The st…
In this paper, we report a coating method of reducing the sheet resistance of commercial Sn-doped In 2 O 3 (ITO) glass by DC magnetron sputtering, without reducing its optical transmittance in the visible range of spectra. Aluminium oxide doped zinc oxide (AZO) films deposited on ITO glass showed highly (002)-oriented…
A simple method is introduced to prepare silver halide low-dimensional nanomaterials in water/oil (W/O) microemulsions. AgCl, AgBr nanoparticles and AgI nanoparticles/nanorods/nanowires are respectively synthesized. The reactant molar ratio plays an important role on the morphology of AgI nanomaterials. The possible r…
The template- and catalyst-free synthesis of well-aligned nc-Si/SiOx composite nanowires (see Figure) is reported. Hot filament chemical vapor deposition on a catalyst-free substrate using a SiCl4/H2 mixture is the method used. Investigation of the photoluminescence characteristics of these composite nanowires reveals…
Abstract CaCO 3 –polyethylene (PE) compositions, containing an ultrahigh molecular polyethylene (UHMPE) interlayer between the filler surface and the PE matrix, were synthesized by two‐step polymerization of ethylene on a filler surface activated with a suitable catalyst. The properties of the compositions were studie…
The electrical and magnetic properties of manganese ferrite $({\mathrm{MnFe}}_{2}{\mathrm{O}}_{4})$ are calculated with the density-functional theory (DFT) method for both normal and inverse spinel structures. The exchange functional is chosen to be a mixture of Becke exchange and Fock exchange with variable weight (w…
Reversible magnetization measurements, micromagnetic modeling, the temperature dependence of coercivity, and magnetic viscosity measurements have been used to clarify the magnetic reversal mechanism of ${\mathrm{Nd}}_{2}{\mathrm{Fe}}_{14}\mathrm{B}$ particles contained in a Nd matrix. The coercivity was observed to in…
Abstract This article describes the chemical modification of polyethylene terephthalate (PET) with a variety of compounds containing reactive glycidyl group(s). Four different modifiers, namely, diglycidyl ether of bisphenol‐A (DGEBA), N , N ′‐bis[3(carbo‐2′,3′‐epoxypropoxy) phenyl] pyromellitimide (BGPM), triglycidyl…
Resistivity, optical, and angle-resolved photoemission experiments reveal unusual one-dimensional electronic properties of highly anisotropic ${\mathrm{S}\mathrm{r}\mathrm{N}\mathrm{b}\mathrm{O}}_{3.41}$. Along the conducting chain direction, we find an extremely small energy gap of only a few meV at the Fermi level.…
We have observed polymersomes of high genus with their vesicle wall organized on the micrometer scale either in a double bilayer connected by a lattice of passages or a tubular network with hexagonal symmetry. Experimentally found shape classes are identified within a theoretical phase diagram based on the bending ene…
Sequential atomic rearrangements leading to the coalescence of fullerene cages or tubes are derived by topological analysis. Qualitative reasoning assists the search for the minimum-energy path, which consists of a jump-to-contact formation of covalent bonds between the separate cages and the following ``plastic flow'…
In this paper, we report our results on the sol–gel preparation and spectral properties of (RE x Y 1− x ) 2 SiO 5 (RE 3+ = Eu 3+ , Tb 3+ , Ce 3+ , x = 0.005, 0.01, 0.02, 0.03 and 0.05) thin films. Effects of annealing temperatures on the thin films structure and optical properties, including luminescence, decay kineti…
The orbitally ordered state of ${\mathrm{YTiO}}_{3}$ has been investigated utilizing resonant x-ray scattering (RXS) near the Ti K-edge. The RXS intensities have been observed at the $1\stackrel{\ensuremath{\rightarrow}}{s}4p$ dipole transition energy (the main edge). The atomic scattering tensor of the Ti ion has qua…
We extend the conventional mode-coupling theory of supercooled liquids to systems under stationary shear flow. Starting from generalized fluctuating hydrodynamics, a nonlinear equation for the intermediate scattering function is constructed. We evaluate the solution numerically for a model of a two-dimensional colloid…