Materials Literature
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Nanorods of zinc oxalate dihydrate have been synthesized using the reverse micellar route. These nanorods were decomposed at 450 °C in air to obtain nanoparticles of zinc oxide. Transmission electron microscopy shows the nanorods to be 120 nm in diameter and 600 nm in length. The ZnO nanoparticles are 55 nm in diamete…
In spite of encouraging progress in recent years, the development of magnetic nanoparticles that can be used as drug delivery vectors remains a significant challenge for materials scientists. Among the multiple hurdles that must be overcome are the provision of a sufficiently high magnetic response, a high loading cap…
Molecular dynamics (MD) simulation of the Mg/Al (3:1) layered double hydroxide (LDH), hydrotalcite (HT), containing citrate, C6H5O7(3-), as the charge balancing interlayer anion provides new molecular scale insight into the interlayer structure, hydrogen bonding, and energetics of the hydration and consequent swelling…
GeTe(1-x)-Sb2Te3(x) sputtered amorphous film was crystallized into a simple NaCl-type structure through instantaneous laser irradiation over a wide composition range from x = 0 to at least 2/3. When the ratio of Sb2Te3 increases, a vacancy is generated at every Na site for two Sb atoms. The fraction of vacancies, v(x)…
To improve fracture toughness and encourage excellent self‐crack‐healing ability, mullite/SiC particle/SiC whisker multi‐composites and mullite/SiC whisker composites were hot pressed. The crack‐healing abilities and mechanical properties of these sintered composites were investigated. Based on the obtained results, t…
The close-range interaction of dislocations and solute clusters in the Al–Mg binary system is studied by means of atomistic simulations. We evaluate the binding energy per unit length of dislocations to the thermodynamically stable solute atmospheres that form around their cores, at various temperatures and average so…
Magnetodielectric materials are characterized by a strong coupling of magnetic and dielectric properties and in rare cases simultaneously exhibit both, magnetic and polar order. Among other multiferroics, TbMnO3 and GdMnO3 reveal a strong magneto-dielectric (ME) coupling and as a consequence fundamentally new spin exc…
We develop an exact formalism for performing first-principles calculations for insulators at fixed electric polarization. As shown by Sai, Rabe, and Vanderbilt (SRV) [Phys. Rev. B 66, 104108 (2002)], who designed an approximate method to tackle the same problem, such an approach allows one to map out the energy landsc…
First-principles, density-functional-based electronic structure calculations are employed to study the changes in the electronic properties of ZnC_{y}Ni_{3} and MgC_{y}Ni_{3} using the Korringa-Kohn-Rostoker coherent-potential approximation method in the atomic sphere approximation (KKR-ASA CPA). As a function of decr…
We investigate the initial stage of the 2D-3D transition of strained Ge layers deposited on pit-patterned Si(001) templates. Within the pits, which assume the shape of inverted, truncated pyramids after optimized growth of a Si buffer layer, the Ge wetting layer develops a complex morphology consisting exclusively of…
In order to gain insights into the origin of colossal magneto-resistance (CMR) in manganese oxides, we performed a ^{139}La NMR study in the double-layered compound La_{1.2}Sr_{1.8}Mn_2O_7. We find that above the Curie temperature T_C=126 K, applying a magnetic field induces a long-range ferromagnetic order that persi…
We develop the microscopic theory of the extrinsic spin Hall conductivity of a two-dimensional electron gas, including skew-scattering, side-jump, and Coulomb interaction effects. We find that while the spin-Hall conductivity connected with the side-jump is independent of the strength of electron-electron interactions…
We report the thermal conductivity and specific heat of amorphous silicon thin films measured from 5-300 K using silicon-nitride membrane-based microcalorimeters. Above 50 K the thermal conductivity of thin-film amorphous silicon agrees with values previously reported by other authors. However, our data show no platea…
We recently reported the synthesis of a new quaternary hydride in the lithium-boron-nitrogen-hydrogen quaternary phase diagram with the approximate composition LiB0.33N0.67H2.67 having a theoretical hydrogen content of 11.9 wt %. This new compound forms by the reaction of appropriate amounts of lithium amide (LiNH2) a…
We report on rheological properties of a dispersion of multi-walled carbon nanotubes in a viscous polymer matrix. Particular attention is paid to the process of nanotubes mixing and dispersion, which we monitor by the rheological signature of the composite. The response of the composite as a function of the dispersion…
A Landau-Lifshitz-Gilbert type equation has been derived by using s-d model in which the s-electron system is regarded as an environment coupled weakly with the localized spins. Based on the irreducible linear response theory, we show that the relaxation function of the s-electron spin leads to the Gilbert type dampin…
The discontinuities of $T_{c}$ in Niobium under pressure are examined by means of the pseudopotential plane-wave implementation of the electron-phonon coupling calculated from density-functional perturbation theory. Both low- and high-pressure discontinuities of $T_{c}$ have their origin in the Kohn anomalies and are…
We report the synthesis of nominal 2 and 5 at.% Mn-doped ZnO nanocrystalline particles by a co-precipitation method. Rietveld refinement of x-ray diffraction data revealed that Mn-doped ZnO crystallizes in the monophasic wurtzite structure and the unit cell volume increases with increasing Mn concentration. DC magneti…
We have developed a size series of unusually small, water-soluble (InAs)ZnSe (core)shell quantum dots (QDs) that emit in the near-infrared and exhibit new behavior in vivo, including multiple sequential lymph node mapping and extravasation from the vasculature. The biological utility of these fluorescent probes result…
Building blocks: Poly(N-vinylpyrrolidone)-protected gold nanoparticles synthesized electrochemically were used as “building blocks” to construct varieties of nanostructures (see figure), including well-defined nanorings, single-crystal films and dense particle films.