Materials Literature
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This paper offers the first series of state-of-the-art quantum chemical calculations (CASSCF, CASPT2, MS-CASPT2) and analytical models for the well-known problem of quasi-general ferromagnetic coupling in copper-gadolinium complexes. A system chosen from the chemical report of Costes et al. was taken as prototype. At…
Abstract The chemistry and physics of molecule‐based materials are exciting subjects, and due to potential applications this area is being extensively investigated. Considerable effort is currently being made to design and to investigate new materials involving interplay or synergy between multiple physical properties…
X-ray Absorption Near Edge Structure [XANES] of FePt nanoclusters has been studied using a full multiple scattering, self-consistent field [SCF], real-space Green`s function approach realized via the powerful ab initio FEFF8 code. One purpose of our study is to determine the sensitivity of Pt L3 edge with respect to t…
A susceptibility function $χ(L)$ is introduced to quantify some aspects of the intermittent stick-slip dynamics of a rough metallic cylinder of length $L$ on a rough metallic incline submitted to small controlled perturbations and maintained below the angle of repose. This problem is studied from the experimental poin…
Structural and optical properties of MBE-grown GaAs(001) surface have been studied by reflection high-energy electron diffraction and single-wavelength ellipsometry under dynamic conditions of ramp heating after desorption of passivating As-cap-layer with and without As4 beam applied to the surface. For a number metas…
From in-situ ellipsometric measurements during condensation of As4 molecular beam on GaAs(001) substrate the arsenic sticking coefficient was determined. For the substrate with Ga-rich surface reconstruction at 60C the sticking coefficient was found to be 7x10-3, whereas for the surface of amorphous arsenic this coeff…
High-resolution photoemission has been used to study the electronic structure of the charge-density wave (CDW) and superconducting dichalcogenide, $2\mathrm{H}\mathrm{\text{\ensuremath{-}}}{\mathrm{N}\mathrm{b}\mathrm{S}\mathrm{e}}_{2}$. From the extracted self-energies, important components of the quasiparticle inter…
Organic monolayer-coated rhombohedral NiS (millerite) nanorods and triangular nanoprisms were synthesized using a solventless thermolytic decomposition of nickel thiolate precursors in the presence of octanoate. The size and shape distributions are relatively narrow, with nanorod lengths that depend on the growth cond…
Carbon nitride films (CN x films) were deposited on Si(100) substrates by the electrolysis of methanol–urea solution at high voltage, atmospheric pressure, and low temperature. The microstructure and morphology of the resulting CN x films were analysed by means of Raman spectroscopy, x-ray photoelectron spectroscopy (…
Smart materials cover a wide and developing range of technologies. A particular type of smart material, known as chromogenics, can be used for large area glazing in buildings, automobiles, planes, and for certain types of electronic display. These technologies consist of electrically-driven media including electrochro…
nanospheres via Ostwald ripening under hydrothermal conditions. Inner nanospace and highly organized crystallites in the shell structure and surface regions can be created with a wide range of controlling parameters. The formation mechanism has been investigated with TEM/ED/SEM/EDX/XRD/XPS methods. The approach shows…
Demands for thermal control in IC chips are more rigorous with increasing power dissipation in electronic devices. The thermal interface material forms an important passage for efficient heat transfer in the chip, and a study has been done to analyze the thermal performance of a particular type of polymeric thermal in…
Abstract A tripodal hexadentate ligand containing three imidazole groups gives spin-crossover iron complexes in both the +II and the +III oxidation states. The tetrafluoroborate salt of the Fe(II) complex shows a gradual spin transition in the temperature range 110–270 K. The corresponding Fe(III) complex shows a spin…
We analyze refraction of electromagnetic wave packets on passing from an isotropic positive to an isotropic negative-refractive-index medium. We definitively show that in all cases the energy is always refracted negatively. For localized wave packets, the group refraction is also always negative.
Abstract We report a novel water-free processing of monodisperse and pure Cu2S nanocrystals (NCs) by thermolysis of copper–dodecanethiol complex. The narrow size distribution led to the formation of ordered self-assemblies with various well-defined structures. However, unclose-packing structure was observed as a predo…
We report on the magnetic properties and magnetocaloric effects of Mn5Ge3−xGax compounds with x=0.1, 0.2, 0.3, 0.4, 0.6 and 0.9. All samples crystallize in the hexagonal Mn5Si3-type structure with space group P63/mcm and order ferromagnetically. The Curie temperature of these compounds decreases with increasing x, fro…
The lattice parameter and thermal expansion coefficient (TEC) for the spinel-type ${\mathrm{Si}}_{3}{\mathrm{N}}_{4}$ phase prepared under high-pressure and high-temperature conditions are determined for $14\mathrm{K}<T<302\mathrm{K}$ by x-ray diffraction, at a synchrotron-radiation source, and for $0\mathrm{K}&…
We have performed semiempirical modified-neglect-of-diatomic-overlap (to determine the most stable geometrical arrangements) as well as ab initio density-functional theory calculations (to obtain the electronic structure and total energies) at $T=0$ to analyze the energetics and structural properties of OH species ads…
${}^{59}\mathrm{Co}$ nuclear magnetic resonance (NMR) studies have been made to clarify the spin-state and local magnetic properties of ${\mathrm{Nd}}_{1\ensuremath{-}x}{\mathrm{Sr}}_{x}{\mathrm{CoO}}_{3}$ $(0<~x<~0.5).$ Three different types of Co NMR spectra are obtained. The parent ${\mathrm{NdCoO}}_{3}$ exhi…
Nanometre-sized diamonds (nanodiamonds) are to date the most abundant presolar grains in primitive meteorites. They are therefore presumed to be an abundant component of the dust in the interstellar medium. What then are the expected spectroscopic signatures of these grains in the interstellar medium? In order to answ…