Materials Literature
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Crystalline solutions of (1−x)(Bi,La)(Fe0.95Ga0.05)O3–xPbTiO3 (BLGF–PT) have been fabricated with La concentrations of 0, 10, and 20 at. %. The BLGF–PT system has been found to have excellent insulation resistivity ⩽1013 Ω cm. In addition, La substituent was found to decrease the coercive field, resulting in much impr…
Neither the adsorbed amount per unit actual surface area nor the structural stability of hen egg lysozyme is influenced by increasing the nanometer-scale roughness (5 < R ave < 60 nm) of a series of model substrates. Seven poly(ether sulfone) (PES) ultrafiltration membranes of increasing mean pore size with the same s…
The self-consistent charge transport in bulk alumina samples during electron beam irradiation is described by means of an iterative computer simulation. Ballistic electron and hole transport as well as their recombination and trapping are included. As a main result the time-dependent secondary electron emission rate σ…
Hexagonal M-type barium ferrite (BaM) films have been prepared by pulsed laser deposition. Optimal preparation conditions gave pure single phase films with the narrowest possible ferromagnetic resonance (FMR) linewidths. The films were deposited on c-plane sapphire substrates with a KrF excimer laser at wavelength of…
The technique for the writing of crystal lines in glass by Nd:YAG laser irradiation, selective atom heat processing, is applied to rare-earth (Sm3+, Dy3+) barium borate glasses, and nonlinear optical β-BaB2O4 (β-BBO) crystal lines with a width of ∼5 μm are fabricated. The crystal lines show uniform colors in polarized…
Impedance spectroscopy measurements are performed on a sintered network of TiO2 nanoparticles at different humidity. A transition from nearly normal to dispersive transport is observed at a certain frequency depending on the humidity. The low-frequency conductivity depends on the humidity by power law with an exponent…
Dielectric and conductivity measurements were carried out on the potassium niobate ceramics both as a function of temperature (50 to 550 °C) and frequency (102 to 106 Hz). A low-frequency dielectric relaxation in the temperature range of 100 to 200 °C is observed and analyzed with the Cole–Cole function. The activatio…
Molecular dynamics simulations are carried out in a systematic manner to develop a coarse grain model for multiple-of-three carbon n-alkanes. The procedure involves optimizing harmonic bond and bend parameters, and Lennard-Jones nonbonded parameters, to match observables taken from fully atomistic simulations and from…
We have investigated the effects of Mn doping on the ferroelectric and pyroelectric properties of Pb(Zr0.3Ti0.7)O3 (PZT) thin films on substrates Pt/Ti/SiO2/Si. The Mn-doped (1 mol %) PZT (PMZT) showed almost no hysteretic fatigue up to 1010 switching bipolar pulse cycles, coupled with excellent retention properties.…
The adsorption of a water molecule on a partially reduced TiO2 anatase (101) surface has been studied by first-principles molecular-dynamics simulations. At variance with the stoichiometric surface, dissociation of water close to the oxygen vacancy is energetically favored compared to molecular adsorption. However, no…
Highly oriented Ga-doped ZnO nanorod arrays have been fabricated on GaN and sapphire substrates by pulsed laser deposition. X-ray diffraction shows that these nanorods are grown epitaxially with the c-axis normal to the substrate. The ZnO nanorod formation proceeds as follows. After a wetting layer of ZnO film grows t…
Defects in hydrothermal grown ZnO single crystals are studied as a function of annealing temperature using positron annihilation, x-ray diffraction, Rutherford backscattering, Hall, and cathodoluminescence measurements. Positron lifetime measurements reveal the existence of Zn vacancy related defects in the as-grown s…
A nonlinear structural mechanics based approach for modeling the structure and the deformation of single-wall and multiwall carbon nanotubes (CNTs) is presented. Individual tubes are modeled using shell finite elements, where a specific pairing of elastic properties and mechanical thickness of the tube wall is identif…
First principles calculations using density functional theory were carried out to obtain the geometrical properties and the radial breathing mode (RBM) frequency of 40 different single-walled carbon nanotubes with small diameter. Fourteen chiral nanotubes with diameters less than 0.8 nm were considered, for which the…
Ewald summation expressions are derived for the energy, interatomic forces, pressure tensor, electric fields, and electric field gradients in a periodic computer simulation system of molecules with charges, induced dipoles, and quadrupoles. The full expressions including quadrupolar multipole interactions are given; t…
The dielectric and structural properties of Bi(GaxFe1−x)O3–PbTiO3 (BGF–PT) crystalline solutions have been investigated. Studies have focused on phase-pure perovskite materials. With increasing Ga content, we have found: (i) a coexistence of tetragonal and rhombohedral ferroelectric phases; (ii) a multicell perovskite…
Helium atoms or hydrogen molecules are believed to be strongly bound within the interstitial channels (between three carbon nanotubes) within a bundle of many nanotubes. The effects on adsorption of a nonuniform distribution of tubes are evaluated. The energy of a single particle state is the sum of a discrete transve…
A design concept for nanowire-based sensors and arrays is described. The fabrication technique involves electrodeposition to directly grow nanowires between patterned thin film contact electrodes. To prove our concept, we have electrodeposited 1-mm diameter Pd single wires and small arrays. To demonstrate nanowire sen…
Hardness and fracture toughness of Dy-123 single-domains were studied by Vickers micro-indentation. A significant anisotropy of the mechanical properties was observed. Hardness tests give higher values when performed in (001) planes rather than in planes parallel to the c-axis. Moreover cracks pattern around the inden…
We present a first principle study of the electron-phonon (e-p) interaction at the Be(0001) surface. The real and imaginary part of the e-p self energy are calculated for the surface state in the binding energy range from the $\barΓ$ point to the Fermi level. Our calculation shows an overall good agreement with severa…