Materials Literature
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The phase-switch Monte Carlo method of Wilding and Bruce [Phys. Rev. Lett. 85, 5138 (2000)] is extended to enable calculation of solid-liquid phase coexistence for soft potentials. The method directly accesses coexistence information about a system while avoiding simulation of the interfacial region. Order parameters…
We discuss the effect of a molecular Bose condensate on the energy of Fermi excitations in a trapped two-component atomic Fermi gas. The single-particle Green's functions can be approximated by the well-known BCS form, in both the BCS (Cooper pairs) and BEC (Feshbach resonance molecules) domains. The composite Bose or…
New telechelic polyisobutylenes (PIB) with hydrogen-bonding motifs were prepared. Nucleobases such as thymine, uracil, and cytosine as well as chelate-type hydrogen-bonding donor−acceptors were affixed onto the end groups of the PIB. Starting with PIB of defined molecular weight, prepared by living cationic polymeriza…
Abstract Coalescence filtration is very effective for the separation of secondary emulsions that contain water droplets with diameters less than 50 μm. The factors that control the performance of coalescer filter media are fiber size and wettability. High wettability materials for water‐in‐oil dispersion promote coale…
A novel collective excitation is predicted to exist at metal surfaces where a two-dimensional surface-state band coexists with the underlying three-dimensional continuum. This is a low-energy acoustic plasmon with linear dispersion at small wave vectors. Since new modern spectroscopies are especially sensitive to surf…
Spin valve ultrafast spin injection devices are described: an amplifier, a frequency multiplier, and a square-law detector. Their operation is based on injection of spin polarized electrons from one ferromagnet to another through a semiconductor layer and spin precession of the electrons in the semiconductor layer in…
Nitrogen-doped $\ensuremath{\beta}\ensuremath{-}{\mathrm{Ga}}_{2}{\mathrm{O}}_{3}$ nanowires (GaO NWs) were prepared by annealing the as-grown nanowires in an ammonia atmosphere. The optical properties of the nitrogen-doped GaO NWs were studied by measurements of the photoluminescence and phosphorescence decay at the…
Photoluminescence (PL) and photoluminescence excitation (PLE) spectra are obtained from individual single-walled carbon nanotubes (SWNTs). Individual SWNT spectra are compared with spectra from ensembles. The PL spectrum of an individual SWNT in air at room temperature has a single asymmetric peak of width typically 1…
Ultrafast carrier dynamics in individual semiconducting single-walled carbon nanotubes was studied by femtosecond transient absorption and fluorescence measurements. After photoexcitation of the second van Hove singularity of a specific tube structure, the relaxation of electrons and holes to the fundamental band edge…
A simple empirical model and approach are introduced for calculation of the vibrational spectra of arbitrary single wall carbon nanotubes. Differently from the frequently used force constants description, the model employs only invariant quantities such as variations of lengths and angles. All the salient qualitative…
We employ the dynamical mean field approximation to perform a systematic study of magnetism in Ga_{1-x}Mn_xAs. Our model incorporates the effects of the strong spin-orbit coupling on the J=3/2 GaAs valence bands and of the exchange interaction between the randomly distributed magnetic ions and the itinerant holes. The…
The problems of participation of crystal chemical factors in creating of conditions to occurrence of a superconducting state in layered superconductors are considered. On the basis of the experimental data, given in the literature, new correlations of Tc with relation of crystal chemical parameters in high-Tc cuprates…
Results for the binding of carbon monoxide and oxygen along with the oxidation of CO in the presence of atomic Au(-) have been obtained utilizing a fast-flow reactor mass spectrometer. In addition, density functional calculations have been performed to explain the experimental findings. It was observed that upon oxyge…
Reactions between K(3)[M(CN)(6)] and [Mn(5-Brsalen)(H(2)O)(2)](+) (5-Brsalen = N,N'-ethylenebis(5-bromosalicylidene)aminato dianion) in a mixture of methanol and water afford the compounds K[(5-Brsalen)(2)(H(2)O)(2)Mn(2)M(CN)(6)].2H(2)O, with M = Cr (1) or Fe (2). The two compounds are isostructural, each containing a…
Experimental and computational studies were performed to understand the electronic structure of ternary perovskites (ASnO(3), A = Ca, Sr, Ba, Cd), pyrochlores (RE(2)Sn(2)O(7), RE = Y, La, Lu; Cd(2)Sb(2)O(7)), and defect pyrochlore oxides (Ag(2)Sb(2)O(6)) containing the main group ions Sn(4+) and Sb(5+). In all compoun…
We report equilibrium geometric structures of ${\mathrm{CuO}}_{2},$ ${\mathrm{CuO}}_{3},$ ${\mathrm{CuO}}_{6},$ and ${\mathrm{CuO}}_{6}^{\ensuremath{-}1}$ clusters obtained by an all-electron linear combination of atomic orbitals scheme within the density-functional theory with generalized gradient approximation to de…
Abstract Film formation from an aqueous polytetrafluoroethylene (p‐TFE) latex dispersion on glass tissues was studied. The p‐TFE particles were of globular shape, had a diameter of 220 ± 20 nm, and were of high crystallinity (∼ 100%). The melting point of the material was 332°C. For the study of the film formation, st…
Abstract Dynamically cured polypropylene (PP)/epoxy blends compatibilized with maleic anhydride grafted PP were prepared by the curing of an epoxy resin during melt mixing with molten PP. The morphology and crystallization behavior of dynamically cured PP/epoxy blends were studied with scanning electron microscopy, di…
Photoluminescence (PL) from SiOx (0<x<2) thin films, prepared by evaporation of SiO powder onto the Si(100) substrate followed by thermal annealing, was investigated for various film thickness and annealing temperatures. For the film thickness ranging from 120 to 700 nm and annealing at 1100 °C for 30 min in nitrogen,…
We present an analytical response theory formulation for the dependence of the nuclear magnetic resonance shielding tensor of molecules on the external magnetic field. First-principles calculations for ${}^{59}\mathrm{Co}$ in $\mathrm{Co}(\mathrm{acetylacetonate}{)}_{3}$ and $\mathrm{Co}({\mathrm{NH}}_{3}{)}_{6}^{3+}$…