Materials Literature
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The electrical properties of Na1∕2Bi1∕2Cu3Ti4O12 (NBCTO) ceramics between ∼8 and 400K are electrically inhomogeneous, consisting of semiconducting grains and insulating grain boundaries, similar to isostructural CaCu3Ti4O12 (CCTO); however, the intrinsic permittivity of NBCTO of ∼250 at 10K is much higher compared to…
A two-thiol reactive lanthanide-DOTA (1,4,7,10-tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid) chelate, CLaNP-3 (CLaNP=caged lanthanide NMR probe), was synthesized for the rigid attachment to cysteine groups on a protein surface, and used to obtain long-range-distance information from the {15N,1H} HSQC spectra o…
Ge on Si p-i-n photodetectors with areas which are compatible with commercially available receivers have been fabricated and tested. A dark current density of 6 mA/cm2at -1-V bias has been measured at room temperature; when heated to 85 degC, the measured dark current increases by a factor of nine. A responsivity of 0…
The energy level alignment at interfaces between a low band gap conjugated polymer and various electrodes is investigated using ultraviolet photoemission spectroscopy. When the electrode work function is lower (higher) than the negative (positive) polaronic level of the polymer, the Fermi level is pinned to the negati…
The atomic and electronic structure of magnetite $({\mathrm{Fe}}_{3}{\mathrm{O}}_{4})$ in the four possible low-temperature structures, namely, $P2∕c\ensuremath{-}Pmca$ (I), $Pmca$ (II), $Pmc{2}_{1}$ (III), and $Cc$ (IV), have been investigated by generalized gradient $\text{approximation}+\text{Hubbard}$ $U$ $(\mathr…
Time-resolved x-ray excited optical luminescence (XEOL) and x-ray absorption near edge structures have been employed to study the origin of the multicolor luminescence from SnO2 nanoribbons. The authors find that the yellow-green luminescence has a long lifetime while the blue luminescence a short one. The luminescenc…
An investigation was made into the non-Ohmic and dielectric properties of a Ca2Cu2Ti4O12 perovskite-type system. Compared to the traditional CaCu3Ti4O12-based composition, the imbalance between the Ca and Cu atoms caused the formation of a polycrystalline system presenting ∼33.3mol% of CaCu3Ti4O12 (traditional composi…
The authors report the fabrication of gold flowerlike nanoarchitectures (FNs) on indium tin oxide coated glass substrate using a low-cost electrochemical strategy at a proper current density and polyvinylpyrrolidone concentration in electrolyte. The FNs are grown and built with the blocks of two-dimensional flakelike…
The electronic spectrum, energy gap and local magnetic moment of paramagnetic NiO are computed using the local density approximation plus dynamical mean-field theory (LDA + DMFT). To this end the noninteracting Hamiltonian obtained within the LDA is expressed in Wannier function basis, with only the five antibonding b…
Previous studies have found that calculations which consider long-range magnetic dipolar interactions truncated at a finite cut-off distance Rc predict spurious (unphysical) long-range ordered phases for Ising and Heisenberg systems on the pyrochlore lattice. In this paper we show that, similar to these two cases, cal…
High density vertical zinc oxide nanowire arrays were fabricated using highly ordered channels in anodic alumina membranes via chemical vapor deposition assisted by electrochemical deposition methods. Using conductive atomic force microscopy, the electrical transport and photoconduction of individual vertical nanowire…
This paper studies a phase field model for the mixture of two immiscible and incompressible fluids. The model is described by a nonlinear parabolic system consisting of the nonstationary Stokes equations coupled with the Allen-Cahn equation through an extra phase induced stress term in the Stokes equations and a fluid…
Here the authors report on a simple and cost-effective procedure to prepare blue luminescent colloidal silicon nanocrystals (Si-ncs) in de-ionized water at room temperature and atmospheric pressure by nanosecond pulsed laser ablation. At low laser fluences well-separated and spherical Si-ncs aggregates are formed. The…
We develop a new approach to determining LJ-EAM potentials for alloys and use these to determine the solid-liquid phase diagrams for binary metallic alloys using Kofke's Gibbs-Duhem integration technique combined with semigrand canonical Monte Carlo simulations. We demonstrate that it is possible to produce a wide-ran…
Since the development of light-responsive amino acids, the activity of numerous biomolecules has been photomodulated in biochemical, biophysical, and cellular assays. Biological problems of even greater complexity motivate the development of quantitative methods for controlling gene activity with high spatial and temp…
Spin-disorder resistivity of Fe and Ni is studied using the noncollinear density functional theory. The Landauer conductance is averaged over random disorder configurations and fitted to Ohm's law. The distribution function is approximated by the mean-field theory. The dependence of spin-disorder resistivity on magnet…
The Monte Carlo technique is used to calculate electrical as well as thermoelectric transport properties across thin-film heterostructures. We study a thin InGaAsP barrier layer sandwiched between two InGaAs contact layers, when the barrier thickness is in the $50\phantom{\rule{0.3em}{0ex}}\mathrm{nm}--2000\phantom{\r…
We use the "isoconfigurational ensemble" [Phys. Rev. Lett. 93, 135701 (2004)] to analyze both dynamical and structural properties in simulations of a glass-forming molecular liquid. We show that spatially correlated clusters of low-potential-energy molecules are observable on the time scale of structural relaxation, d…
Motivated by experiments on atomically smooth layers of ${\mathrm{LaTiO}}_{3}$, a Mott insulator, sandwiched between layers of ${\mathrm{SrTiO}}_{3}$, a band insulator, a simple model for such heterostructures is studied using quasi-one-dimensional lattices and the Lanczos method. Taking both the local and long-range…
It is demonstrated that the photoluminescence intensity of optically active erbium ions positioned in close proximity of anisotropic Ag nanoparticles is significantly enhanced if the nanoparticles support plasmon modes that are resonant with the erbium emission. In addition, the photoluminescence intensity enhancement…