Materials Literature
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Intrinsic room temperature ferromagnetism in Co-implanted ZnO, Akdogan, Numan, Nefedov, Alexei, Westerholt, Kurt, Zabel, Hartmut, Becker, Hans-Werner, Somsen, Christoph, Khaibullin, Rustam, Tagirov, Lenar
The recent quest for improved functional materials like high permittivity dielectrics and/or multiferroics has triggered an intense wave of research. Many materials have been checked for their dielectric permittivity or their polarization state. In this report, we call for caution when samples are simultaneously displ…
Simulation of 'hybrid' superconductors of 3d-, 4d- and 5d-transition elements consisting of two different superconducting fragments located between positively charged ions planes - B'O2 oxide planes and B2C2 intermetallic layers - has been performed on the basis of the structure of Sr2Mn3As2O2 (A2(B2C2)(B'O2)). The ox…
We present a modification of the $Δ$SCF method of calculating energies of excited states, in order to make it applicable to resonance calculations of molecules adsorbed on metal surfaces, where the molecular orbitals are highly hybridized. The $Δ$SCF approximation is a density functional method closely resembling stan…
We report here first extensive measurements of the temperature dependence of phonon density of states of BaFe2As2, the parent compound of the newly discovered FeAs-based superconductors, using inelastic neutron scattering. The experiments were carried out on the thermal time-of-flight neutron spectrometer IN4 at the I…
We theoretically study the spectrum of radial vibrational modes in composite metal nanostructures such as bimetallic core-shell particles and metal nanoshells with dielectric core in an environment. We calculate frequencies and damping rates of fundamental (breathing) modes for these nanostructures along with those of…
The nucleation of vapor bubbles within a superheated fluid is studied using density functional theory. The nudged elastic band technique is used to find the minimum energy pathway from the metastable uniform liquid to the stable uniform gas thus emphasizing the analogy between the the nucleation problem and that of ch…
Crystalline assemblages of identical subunits packed together and elastically bent in the form of a torus have been found in the past ten years in a variety of systems of surprisingly different nature, such as viral capsids, self-assembled monolayers, and carbon nanomaterials. In this Rapid Communication we analyze th…
We have developed a classical two- and three-body interaction potential to simulate the hydroxylated, natively oxidised Si surface in contact with water solutions, based on the combination and extension of the Stillinger-Weber potential and of a potential originally developed to simulate SiO2 polymorphs. The potential…
In DC and AC practical applications of MgB2 superconducting wires an important role is represented by the material sheath which has to provide, among other things, a suitable electrical and thermal stabilization. A way to obtain a large enough amount of low resistivity material in to the conductor architecture is to u…
This communication reports the formation and characterization of self assembled films of a low molecular weight anionic dye amaranth and polycation Poly (allylamine hydrochloride) (PAH) by electrostatic alternating Layer-by-Layer (LBL) adsorption. It was observed that there was almost no material loss occurred during…
By using flux method, we have grown single crystals of NdFeAsO0.82F0.18 at ambient pressures. Resistive measurements reveal a surprising discovery that the anisotropy Γ=(mc∕mab)1∕2 is below 5, which is much smaller than the theoretically calculated value. The data measured up to 400K show a curved feature, which preve…
We investigated a possibility of application of liquid metal contacts for devices based on thermotunneling. Electric and thermal characteristics of low wetting contact Hg/Si, and high wetting contacts Hg/Cu were determined and compared. We got tunneling I-V characteristics for Hg/Si, while for Hg/Cu, I-V characteristi…
The evolution of radiation damage in Fe and Fe–Cr alloys under heavy-ion irradiation was investigated using transmission electron microscopy. Thin foils were irradiated with 100 or 150 keV Fe+ and Xe+ ions at room temperature (RT) and 300°C. Dynamic observations followed the evolution of damage and the early stages in…
The stiffness of 10 nm diameter cellulose nanowhiskers is reported. These whiskers are produced by acid hydrolysis. These whiskers are dispersed in epoxy resin and placed on the surface of a beam of the same material and deformed in tension and compression using a four-point bending device. By following the molecular…
When either electron or hole doped at concentrations x approximately 0.1, the LaFeAsO family displays remarkably high temperature superconductivity with Tc up to 55 K. In the most energetically stable Q-->M=(pi,pi,0) antiferromagnetic (AFM) phase comprised of tetragonal-symmetry breaking alternating chains of aligned…
A dedicated high-resolution high-throughput X-ray powder diffraction beamline has been constructed at the Advanced Photon Source (APS). In order to achieve the goals of both high resolution and high throughput in a powder instrument, a multi-analyzer detector system is required. The design and performance of the 12-an…
This paper reports that among known p-type oxide semiconductors, tin monoxide (SnO) has a high hole mobility and produces good p-type oxide thin-film transistors (TFTs). Device-quality SnO films were grown epitaxially on (001) yttria-stabilized zirconia substrates at 575°C by pulsed laser deposition. These exhibited a…
An algebraic model of coupled anharmonic oscillators is introduced, capable of describing the stretching vibrations of medium and large polyatomic molecules. This model is applied to the calculation of Cm–H and C β –C β vibrational modes of nickel octaethyl porphyrins and nickel porphyrins molecules. The model appears…
The local structure and the EPR parameters (g factors and the hyperfine structure constants) for Cu 2+ in GaN are theoretically studied from the perturbation formulas of these parameters for a 3d 9 ion in trigonally distorted tetrahedra. In these formulas, the ligand orbital and spin-orbit coupling contributions are t…