Materials Literature
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We discuss different magnetic phenomena observed in carbon-based structures, in particular the diamagnetism, paramagnetism and ferromagnetism observed in graphite, disordered carbon, fullerenes and irradiated carbon structures.
In order to study a possible magnetic proximity effect in magnetite-carbon structures, we have performed magnetization measurements of graphite-magnetite composites with different mass ratios as well as the measurement of the magnetoresistance of one of them and of the magnetization of a magnetite-carbon bilayer. The…
We have investigated the band-gap pressure coefficients of self-assembled InAs/GaAs quantum dots by calculating 17 systems with different quantum dot shape, size, and alloying profile using atomistic empirical pseudopotential method within the ``strained linear combination of bulk bands'' approach. Our results confirm…
The ferroelectric properties of disorder $\mathrm{Pb}({\mathrm{Zr}}_{0.5}{\mathrm{Ti}}_{0.5}){\mathrm{O}}_{3}$ thin films are investigated with Monte Carlo simulations on the basis of a first-principles-derived Hamiltonian. It is found that there exists a critical thickness of about three unit cells $(\ensuremath{\sim…
A new method (NM) for filtering three-dimensional reconstructed densities is proposed. The algorithm is tested with simulated spectra and employed to study the electronic structure of the rare-earth compound LaB6. For this system, momentum densities are reconstructed from theoretical and experimental two-dimensional a…
We report on density-functional-based tight-binding (DFTB) simulations of a series of amorphous arsenic sulfide models. In addition to the charged coordination defects previously proposed to exist in chalcogenide glasses, a novel defect pair, [As4]--[S3]+, consisting of a four-fold coordinated arsenic site in a seesaw…
Aqueous solutions of europium(III) and terbium(III) tris(dipicolinates), around physiological pH are shown to be convenient secondary standards in the determination of quantum yields of lanthanide complexes containing these ions. Conditions for which a strict linearity is observed between the concentration of the solu…
Self-generation of ionic organic capping from nonionic surfactant polyoxyethylene (20) sorbitan trioleate (Tween-85) has been realized for the controlled synthesis of single crystalline Co(3)O(4) quantum dots (3.0-5.7 nm) in cubic morphology from related layered hydroxide precursors at 80-95 degrees C. With chemical m…
The central-zone vibrational spectrum of alpha-quartz (SiO2) is calculated by building the Hessian matrix numerically from the analytical gradients of the energy with respect to the atomic coordinates. The nonanalytical part is obtained with a finite field supercell approach for the high-frequency dielectric constant…
The highly crowded arylbis(9-anthryl)methyl cations (structure shown) have now been prepared. Their stability is due to the doubly benzo-annelated structure of anthracene, which prevents Nazarov-type cyclization from taking place. The most remarkable feature of these cations is that they exhibit strong absorptions in…
Schön verpackt: Biomoleküle können in die ultradünne Schale eines Aminopropyl-funktionalisierten Magnesium(organo)phyllosilicats eingehüllt werden und ergeben so wässrige Dispersionen einzelner Nanopartikel aus Protein- und anorganischem Material (A). Ähnliche Methoden führen mithilfe von Tonerde-Oligomeren mit langke…
Remote electron beam induced current (REBIC) and cathodoluminescence (CL) modes in the scanning electron microscope (SEM) have been used to investigate SnO2 sintered samples. The study of the electrically active boundaries present in the oxide shows a characteristic peak and trough (PAT) contrast after thermal treatme…
${\mathrm{ZrW}}_{2}{\mathrm{O}}_{8}$ undergoes an order-disorder phase transition associated with the orientational disordering of the ${\mathrm{WO}}_{4}$ tetrahedra at $440\phantom{\rule{0.3em}{0ex}}\mathrm{K}$. We have showed previously that the phase transition temperatures of ${\mathrm{Zr}}_{1\ensuremath{-}x}{M}_{…
We previously proposed the use of solution stirring during the growth of protein crystals using the Micro-Stirring technique with a rotary shaker. In this paper, we report on the effects of a new type solution flow on the crystallization of hen egg-white lysozyme (HEWL) using a wave shaker. The time required for nucle…
A strong antibonding π interaction has been shown by density functional calculations (see LUMO MO graph) to be a key characteristic of two new CuI–diazene complexes with hydrotris(pyrazolyl)borate ligands. The complexes have been further characterized by X-ray crystallography as well as 1H NMR, UV/Vis absorption, IR,…
The insertion of a triethoxysilylated coumarin dye into the channels of zeolite L from CH 2 Cl 2 was examined. Fluorescence from the dye was observed only at the base planes of the cylindrical zeolite L crystals, indicating selective modification of the channel entrances. Leaching of the dye was observed when the mate…
Disorder in ${\mathrm{Gd}}_{2}{\mathrm{Ti}}_{2}{\mathrm{O}}_{7}$ is investigated by near-edge x-ray-absorption fine structure (NEXAFS) and x-ray photoelectron spectroscopy (XPS). NEXAFS shows ${\mathrm{Ti}}^{4+}$ ions occupy octahedral sites with a tetragonal distortion induced by vacant oxygen sites. $\mathrm{O}\phan…
The present paper deals with the formation and detailed characterization of the γ-cyclodextrin (γ-CD) inclusion compounds (ICs) formed with two different high molecular weight isotactic polyolefins, i.e., polypropylene (i-PP) and poly(butene-1) (i-PB). Wide-angle X-ray diffraction (WAXD), differential scanning calorim…
doi:10.1088/0022-3727/37/19/005 We report on the magnetic and martensitic transformation properties of Co39Ni33Al28 ferromagnetic shape memory alloy ribbons. We found that the phase formation of Co39Ni33Al28 is strongly dependent on the method of preparation. The conventional as-cast ingot sample contains a large amou…
Surface-enhanced Raman scattering (SERS) of 4-nitrothioanisole (4-NTA) is investigated in Ag sol. The molecule is found to adsorb on Ag as 4-NTA via the sulfur atom. Upon irradiation by an argon ion laser at 514.5 nm, the molecule is, however, subjected to two consecutive surface-induced photoreactions, namely C−S bon…