Materials Literature
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Single-molecule transistors provide a unique experimental tool to investigate the coupling between charge transport and the molecular degrees of freedom in individual molecules. One interesting class of molecules for such experiments are the single-molecule magnets, since the intramolecular exchange forces present in…
e have developed a simple process to obtain large magnetoresistance (MR) in perovskite manganite thin films by a combination of focused ion beam (FIB) milling and 120 keV H$_{2}^{+}$ ion implantation. Metal slits about 70 nm in width were printed by 30 kV focused Ga ion beam nanolithography on a 4 mm track, and the ma…
Investigations are reported into a range of defects causing partial discharge (PD) activity in high-voltage oil-insulated equipment. The aim is to explore the relationship between radiated ultra-high frequency (UHF) signals and electric charge in a PD current pulse for PD sources in oil insulation. Experiments are per…
We consider periodic domain structures which appear due to the magnetoelastic interaction if the antiferromagnetic crystal is attached to an elastic substrate. The peculiar behavior of such structures in an external magnetic field is discussed. In particular, we find the magnetic field dependence of the equilibrium pe…
We present a detailed discussion of extraordinary optoconductance (EOC). Experimental data was acquired via macroscopic metal-semiconductor hybrid structures composed of GaAs and In and subjected to illumination from an Ar ion laser. A drift diffusion model using the finite element method (FEM) provided a reasonable f…
We present a resonant x-ray scattering study of the octahedral tilt order between 50K and 310K in La_7/8Sr_1/8MnO_3. At the La L_II-edge the resonant (300) reflection probes cooperative tilts of the MnO_6-octahedra in this material, as verified by a model caclulation as well as a LDA+U study. The investigation of the…
Fundamental physical properties limiting the performance of spin field effect transistors are compared to those of ordinary (charge-based) field effect transistors. Instead of raising and lowering a barrier to current flow these spin transistors use static spin-selective barriers and gate control of spin relaxation. T…
We report a theoretical scheme that enables the calculation of maximally localized Wannier functions in the formalism of projector-augmented-waves (PAW) which also includes the ultrasoft-pseudopotential (USPP) approach. We give a description of the basic underlying formalism and explicitly write all the required matri…
A new method to determine electron correlation energy is described. This method is based on a better representation of the potential due to interacting electrons that is obtained by specifying both the average and standard deviation. The standard deviation is determined from a probabilistic interpretation of the Coulo…
We demonstrate that variations in molecular chemisorption energy on different metals, different surface terminations, and different strain conditions can be accounted for by orbital-specific changes in the substrate electronic structure. Our density functional theory data set, spanning three metals, two surface termin…
We consider two basic types of coarse-graining: the Ehrenfests' coarse-graining and its extension to a general principle of non-equilibrium thermodynamics, and the coarse-graining based on uncertainty of dynamical models and Epsilon-motions (orbits). Non-technical discussion of basic notions and main coarse-graining t…
This paper has been withdrawn by the authors due to a critical error discovered in Figures 1, 2 and 4.
We study the dependence of thermal conductivity of single walled nanotubes (SWNT) on chirality and isotope impurity by nonequilibrium molecular dynamics method with accurate potentials. It is found that, contrary to electronic conductivity, the thermal conductivity is insensitive to the chirality. The isotope impurity…
We present a unidimensional discrete solid-on-solid model evolving in time using a kinetic Monte Carlo method to simulate micro-structuring of kerfs on metallic surfaces by means of laser-induced jet-chemical etching. The precise control of the passivation layer achieved by this technique is responsible for the high r…
As an aim toward developing biologically mimetic and functional nanofiber-based tissue engineering scaffolds, we demonstrated the encapsulation of a model protein, fluorescein isothiocyanate-conjugated bovine serum albumin (fitcBSA), along with a water-soluble polymer, poly(ethylene glycol) (PEG), within the biodegrad…
Thermoelectric materials provide a key solution to energy problems through the conversion of heat into electrical energy. We report that the complex Zintl compound, Yb 14 MnSb 11, breaks a 2-decade stagnation in high-temperature (>900 K), p-type materials development for thermoelectric power generation. This material…
The human protein PTD012 is the longer product of an alternatively spliced gene and was described to be localized in the nucleus. The X-ray structure analysis at 1.7 A resolution of PTD012 through SAD phasing reveals a monomeric protein and a novel fold. The shorter splice form was also studied and appears to be unfol…
Spinodal decomposition induced by a rapid pressure change was investigated for a dynamically asymmetric polymer blend [deuterated polybutadiene (DPB)/polyisoprene (PI)] with a composition of 50/50 wt/wt by using time-resolved small angle neutron scattering. The time change in the scattered intensity distribution with…
The size distribution and morphology of microcrystalline cellulose (MCC) particles and the effect of pH on the rheological properties of their dilute aqueous dispersion were studied. The 0.3 wt% aqueous dispersion of fine particles (89 nm) also showed solid‐like dynamic viscoelastic behavior at low pHs (below pH 3), i…
The promesogenic hexacatenar tridentate ligands L3(Cn) (I shape) and L4(Cn) (V shape) react with trivalent lanthanide trifluoroacetates, Ln((CF3CO2)3, to give either monometallic [Ln(Li(Cn))(CF3CO2)3] or trifluoroacetato-bridged bimetallic [Ln(Li(Cn))(CF3CO2)3]2 complexes in the solid state, as exemplified by the crys…