Materials Literature
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We present a microstructure-dependent anisotropic infrared-optical dielectric function model for mixed-phase polycrystalline material from which we derive the transverse and longitudinal-optical modes observable in thin films. Infrared ellipsometry over the wavelength range from 700 to $3000{\mathrm{cm}}^{\mathrm{\ens…
Effects of hydrostatic pressure on the magnetic and transport properties have been investigated for melt-grown crystals of ${\mathrm{La}}_{1\ensuremath{-}x}{\mathrm{Sr}}_{x}{\mathrm{MnO}}_{3}$ with a finely-controlled doping level $x$ near the metal-insulator phase boundary. Application of pressure affects the critica…
The degree of overheating of a melt often plays a significant role in determining its supercooling behavior and thus the nucleation and growth of crystals and their qualities. However, the relationship between the level of melt overheating and the resulting degree of supercooling is far from being understood. It is de…
The single-particle excitation spectra of cupric oxide (CuO) are calculated by using the three-body scattering approximation on a multiorbital tight-binding model. Multiplet structures are fully taken into account. The Hartree-Fock solutions are modified by making a self-energy correction due to multiple scattering be…
The concept of the drawing of a molecular network has been employed to derive a total network draw ratio from the combination of the two deformations occurring in the production of poly(butylene terephthalate), PBT, fibers by the consecutive processes of melt spinning and cold drawing. The mechanical properties of PBT…
A new cyclosilicate, calcium yttrium cyclosilicate, crystallizes in space group C2/c. Ca and Y atoms are in eight-, seven- and sixfold coordination sites between the layers of ternary SiO4 rings (Si3O9). The structural formula can be expressed as (Ca0.89Y0.11)2 (Ca0.54Y0.46)2 (Ca0.14Y0.86) (Si3O9)2.
The structures of Sr2SnO4 ( I 4/ mmm , a 4·0528(1), c 12·5852(5) Å) and Ba2SnO4 (I 4/ mmm , a 4·1428(1), c 13·2993(4) Å) have been refined from neutron powder diffraction data by the Rietveld method. The results show the SnO6 polyhedra are not regular octahedra but are either elongated or compressed along the c direct…
Computer simulations on the display characteristics of chiral-homeotropic liquid crystal cells are performed. This normally black display mode exhibits an excellent contrast ratio, nearly achromatic light transmission, and low operation voltage. The optimal twist angle for suppressing the wavelength and voltage depend…
The tensile properties of polyether-based polyurethane (PU) filaments decrease with increasing chlorine concentrations as well as with treatment times. Fourier transform infrared (FTIR) results show the formation of quinoid, azo, and aldehyde groups in the chlorine-treated PU, and increased hydrogen bonding between th…
Large magnetic contributions to the low-temperature specific heats of rare-earth metaphosphate (R 2 O 3 ) 0.25 (P 2 O 5 ) 0.75 glasses have been observed. These effects result from electronic transitions between 4 f levels multiply split due to local disorder, which also give rise to a strong electronic contribution t…
The electronic structure of the metallic ${\mathrm{Ti}}_{2}{\mathrm{O}}_{3}$ and insulating phases has been investigated using a combination of the three-dimensional periodic shell model and the discrete-variational $(\mathrm{DV})\ensuremath{-}X\ensuremath{\alpha}$ cluster method. Besides the effects of intersite repu…
Electrical and optical properties of ${\mathrm{Ca}}_{1\ensuremath{-}x}{\mathrm{Y}}_{x}{\mathrm{TiO}}_{3}$ and ${\mathrm{CaTi}}_{1\ensuremath{-}x}{\mathrm{Nb}}_{x}{\mathrm{O}}_{3}$ ($x=0,$ ${10}^{\ensuremath{-}4},$ ${10}^{\ensuremath{-}3},$ and ${10}^{\ensuremath{-}2}$) single crystals were studied to understand the me…
The structural and vibrational properties of Si in two fourfold coordinated crystalline structures (clathrates) are studied and compared with those in the diamond structure using a generalized tight-binding molecular-dynamics scheme. The vibrational spectra reported for both clathrates are obtained using quantum metho…
Hydrogen-bonding interaction between the two components of the poly(ethylene oxide) (PEO)/oligoester (OER) blends and the PEO/crosslinked unsaturated polyester resin (PER) blends was found to be an important driving force to the miscibility of these polymer blends. Its strength is approximately as strong as the self-a…
The aim of this study was to investigate the micro structure of the transcrystalline interphase, obtained under isothermal conditions, in polyethylene-based single-polymer microcomposites. Analysis of the angular distribution of intensity in the X-ray diffraction patterns, obtained from transcrystalline layers of vary…
The amorphous carbon nitride films were produced using electron cyclotron resonance nitrogen plasma with various mixtures of N2 and CH4 gases. The dependence of film structures on the nitrogen incorporation and the structural modifications of the film due to ultraviolet (UV) light irradiation were investigated using i…
Chemical depolymerization of chitosan was obtained in the solid state by means of gaseous HCl. This new method allowed us to simultaneously form the hydrochloric salt and saturate the hydration water with acid. The depolymerization was carried out by keeping the product at a given temperature for the desired time. The…
Molecular-dynamics simulations were performed to clarify the structures of SrO and BaO layers on a ${\mathrm{SrTiO}}_{3}(001)$ substrate at the atomic level, and to predict an appropriate buffer layer for ${\mathrm{YBa}}_{2}{\mathrm{Cu}}_{3}{\mathrm{O}}_{7\ensuremath{-}x}/{\mathrm{SrTiO}}_{3}$ heterojunction. The atom…
We introduce a method for examining the boundaries between periodic block copolymer morphologies using self-consistent field theory (SCFT). The technique is illustrated on kink grain boundaries in the AB diblock copolymer lamellar phase. In agreement with experiment, the A and B domains evolve from a simple “chevron”…
The magneto-optical (MO) spectra of 15 ternary ferromagnetic compounds are investigated on the basis of local-density band-structure calculations. The key material of interest in this study is PtMnSb, for which the MO Kerr spectra are unusually large and quite different from that of, e.g., the isoelectronic compounds…