Materials Literature
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We have used the linear muffin-tin-orbital method, without geometrical approximations, to calculate the electronic structure of tetragonal BaTiO3 and cubic SrTiO3. Using our self-consistent potential, we have calculated the frequency-dependent dielectric function and the reflectivity spectrum. For tetragonal BaTiO3 th…
Using classical dynamics simulations, we model the long-lived structural effect of ultraviolet irradiation on amorphous silica. We find a significant increase in density of a model of amorphous silica following localized energy deposition, in agreement with experimental observation. We present evidence that this densi…
The phonon modes of a pure ErVO4 crystal were determined at room temperature using Raman scattering methods, and the observed frequencies were assigned according to group theory in terms of the internal modes of the VO43− ions and the external modes of the Er(VO4) lattice. The assignments of the phonon modes match wel…
Abstract An investigation of regularities of surface‐tension alterations in the aqueous solutions of lignosulfonate and aluminum‐containing organosilicon oligomer (olygoheterosiloxanolates) reaction mixtures revealed that modification with oligomers can be used for the regulation of the surface activity of lignosulfon…
The microscopic origin of the exchange interaction in manganites is studied by solving an electronic model Hamiltonian for the Mn-O-Mn triad. It is shown that the magnetic structure of ${\mathrm{La}}_{1\ensuremath{-}x}{\mathrm{Ca}}_{x}{\mathrm{MnO}}_{3}$ is correctly described within an electronic Hamiltonian model, p…
In order to facilitate the large-scale preparation of active class II polyhydroxyalkanoate (PHA) synthase, we constructed a vector pT7-7 derivative that contains a modified phaC1 gene encoding a PHA synthase from Pseudomonas aeruginosa possessing six N-terminally fused histidine residues. Overexpression of this phaC1…
Computer simulations of bubble oscillations revealed that the bubble temperature at the collapse is highest for a moderately low acoustic amplitude because at higher acoustic amplitudes the bubble content is mostly vapor. The light emission of multibubble sonoluminescence is a combination of chemiluminescence and plas…
We performed a study of the in-plane birefringence of anisotropically nanostructured Si layers, which exhibit a greater difference in the main value of the anisotropic refractive index than that of natural birefringent crystals. The anisotropy parameters were found to be strongly dependent on the typical size of the S…
The characteristics of reactions in the monomer phase, aqueous phase, and the interface of monomer/aqueous phase of soap-free emulsion polymerization of 4-vinylpyridine (4VP) and styrene (St) system were evaluated by using the different types of initiators, addition of organic solvents, and changes of agitation rate.…
Due to the existence of a macroscopic helical structure, oriented cholesteric liquid crystals (CLCs) can selectively reflect light. The wavelength bandwidth for these Bragg reflections is limited: typically a few tens of nanometers due to limited birefringence values available in organic mesomorphic compounds. Here, w…
Although the incorporation of small-molecule azobenzene dyes in polymer thin films has been investigated in the past, the application of the layer-by-layer adsorption technique has enabled incorporation of molecularly ordered dye layers without applying the Langmuir−Blodgett methodology. A problem with small-molecule…
Abstract The vulcanization of asphalt/styrene–butadiene–styrene (SBS) triblock copolymer blends in the presence of elemental sulfur was followed with a strain‐controlled rheometer. The vulcanization of the blends took place at temperatures greater than 140°C. From 150 to 180°C, the curing rate of the blends increased…
Temperature-dependent electron transport was measured through three-dimensional close-packed alkanethiol-stabilized silver nanocrystal arrays using interdigitated array electrodes. Nanocrystals ranging from 35 to 77 Å in diameter with Coulomb blockade energies well above kT were studied. The nanocrystal superlattices…
Cyano-mediated interaction of the alternating high-spin Mn(II) centers and low-spin Ru(III) centers in {Mn[Ru(acac)2 (CN)2 ]2 }n (Hacac=acetylacetone) results in long-range ferromagnetic ordering below 3.6 K. This novel Mn(II) Ru(III) coordination polymer, which has a diamond-like structure, was constructed from [Ru(a…
Amorphous thin films of tungsten oxide were deposited by sputtering onto glass substrates covered by conductive indium–tin oxide. The density and stoichiometry were determined by Rutherford backscattering spectrometry. Lithium ions were intercalated electrochemically into the films. The optical reflectance and transmi…
It is shown that sp2 phase organization plays an important role in the field emission from nanostructured carbons. Emission is found to depend on the cluster size, anisotropy, and mesoscale bonding of the sp2 phase, and the electronic disorder. It is found by Raman spectroscopy that increasing the size of sp2 clusters…
We synthesized azobenzene-conjugated bis(terpyridine) Ru(II) and Rh(III) mononuclear and dinuclear complexes and investigated their photochemical properties on excitation of the azo pi-pi band upon 366 nm light irradiation. The Ru mononuclear complex underwent trans-to-cis photoisomerization to reach the photostationa…
The nanocrystallization process of reactively sputtered thin amorphous Ta–Si–N films is investigated by anomalous small angle x-ray scattering (ASAXS) and x-ray diffraction (XRD). Changes in the microstructure in Ta40Si14N46 films, density variations in the amorphous matrix, decomposition, formation, and growth of nan…
A clear physics picture of ${\mathrm{TbBaCo}}_{2}{\mathrm{O}}_{5.5}$ is revealed on the basis of density-functional theory calculations. An antiferromagnetic (AFM) superexchange coupling between the almost high-spin ${\mathrm{Co}}^{3+}$ ions competes with a ferromagnetic (FM) interaction mediated by both $p\ensuremath…
Largely due to its role in nucleation and crystal-growth, the free energy of the crystal-melt interfacial free energy is an object of considerable interest across a number of scientific disciplines, especially in the materials-, colloid-, and atmospheric sciences. Over 50 years ago, Turnbull observed that the interfac…