Materials Literature
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The basis set and electron correlation effects on the static polarizability (alpha) and second hyperpolarizability (gamma) are investigated ab initio for two model open-shell pi-conjugated systems, the C(5)H(7) radical and the C(6)H(8) radical cation in their doublet state. Basis set investigations evidence that the l…
We have fabricated nanoscale magnetic tunnel junctions (MTJs) with an additional fixed magnetic layer added above the magnetic free layer of a standard MTJ structure. This acts as a second source of spin-polarized electrons that, depending on the relative alignment of the two fixed layers, either augments or diminishe…
A simple bulk model of electron-phonon coupling in metals has been surprisingly successful in explaining experiments on metal films that actually involve surface- or other low-dimensional phonons. However, by an exact application of this standard model to a semi-infinite substrate with a free surface, making use of th…
The pressure response of double-wall carbon nanotubes has been investigated by means of Raman spectroscopy up to $10\phantom{\rule{0.3em}{0ex}}\mathrm{GPa}$. The intensity of the radial breathing modes of the outer tubes decreases rapidly but remain observable up to $9\phantom{\rule{0.3em}{0ex}}\mathrm{GPa}$, exhibiti…
The temperature dependence of resistivity, magnetization, and electron-spin resonance of the $\ensuremath{\alpha}\text{\ensuremath{-}}\mathrm{Mn}\mathrm{S}$ single crystal were measured in temperature range of $5\phantom{\rule{0.3em}{0ex}}\mathrm{K}<T<550\phantom{\rule{0.3em}{0ex}}\mathrm{K}$. Magnetization hyst…
We report a giant resistance drop induced by dc electrical currents in La0.67Ca0.33MnO3 epitaxial thin films. Resistance of the patterned thin films decreases exponentially with increasing current and a maximum drop shows at the temperature of resistance peak Tp. Variation of resistance with current densities can be s…
F-doped and undoped ZnO nanocrystalline films were prepared from thermal oxidation of ZnF2 films deposited on a silica substrate by electron beam evaporation. The F-doped ZnO film has very low electrical resistivity of 7.95×10−4Ωcm and a high optical transmittance. The study also indicated that (1) the substitutional…
Samuely et al. (cond-mat/0503153) make the strong claim that our letter is 'contradicting several established experimental results'. As we will show below this is not justified and the claims from are based on a misinterpretation of our results.
Motivated by the unusual soft mode anomalies in the relaxor ferroelectrics, we present a numerical study of vibrational excitations of a disordered lattice model with chemical order on the nano-scale. We find an Ioffe-Regel crossover in acoustic modes separating propagating low-frequency modes from the intermediate fr…
The low-temperature (T = 17.5 K) structure of titanium(III)-oxybromide, TiOBr, is reported as a two-fold superstructure of the crystal structure at room temperature. Weak superlattice reflections could be measured with synchrotron radiation x-rays, and they were analysed by structure refinements employing superspace t…
We present a tight-binding calculation of the influence of distorsion on the bulk electronic structure of the chalcopyrite CuInSe2. We calculate the ideal case and then the effect of the inclusion of the distortions. We analyze our results in detail and conclude from a comparison with other work that the distortions m…
A simple and rapid wet-chemical technique for the deposition of silver triangles on conventional glass substrates, which alleviates the need for lithography, has been developed. The technique is based on the seed-mediated cetyltrimethylammonium-bromide-directed growth of silver triangles on glass surfaces, where small…
Magnetoelectric (ME) CoFe2O4–Pb(Zr,Ti)O3 composite thin films have been prepared by a sol-gel process and spin-coating technique. X-ray diffraction and scanning electron microscopy reveal that there exists local aggregation or phase separation of the CoFe2O4 and Pb(Zr,Ti)O3 phases in the films. Vibrating sample magnet…
Equilibrium geometries, surface energies, and surfactant binding energies are calculated for selected bulk facets of wurtzite CdSe with a first-principles approach. Passivation of the surface Cd atoms with alkyl phosphonic acids or amines lowers the surface energy of all facets, except for the polar 000 facet. On the…
Chemical modification by SOCl2 of an entangled network of purified single-wall carbon nanotubes, also known as 'bucky paper', is reported to profoundly change the electrical and mechanical properties of this system. Four-probe measurements indicate a conductivity increase by up to a factor of 5 at room temperature and…
The melting temperature of ice I(h) for several commonly used models of water (SPC, SPC/E,TIP3P,TIP4P, TIP4P/Ew, and TIP5P) is obtained from computer simulations at p = 1 bar. Since the melting temperature of ice I(h) for the TIP4P model is now known [E. Sanz, C. Vega, J. L. F. Abascal, and L. G. MacDowell, Phys. Rev.…
Quantum dots (QDs) and magnetic nanoparticles (MPs) are of interest for biological imaging, drug targeting, and bioconjugation because of their unique optoelectronic and magnetic properties, respectively. To provide for water solubility and biocompatibility, QDs and MPs were encapsulated within a silica shell using a…
Insufficient reliability of hot gas filter materials is among the main obstacles to the replacement of traditional power generation processes with advanced, more efficient coal or biomass based routes. Knowledge of the effects of water vapour and thermal transients on microstructure and its relation to the mechanical…
We study the interwall interaction and relative motion of walls in carbon nanotubes using density functional theory. The interwall interaction energy surface as a function of relative rotation and sliding of walls is calculated for the (5,5)@(10,10) nanotube. The barriers to relative rotation and sliding are estimated…
The effects of different solvent mixtures and dispersants on non-aqueous suspensions of silicon carbide SiC were investigated by measuring settling rate, sediment height and viscosity. Based on these results, solvents, dispersants and dispersant concentrations were optimised to give the slurry with the lowest settling…