Materials Literature
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Abstract Pure and impurity (strontium) added calcium tartrate tetrahydrate single crystals were grown by the gel method. The FT‐IR spectra of these crystals were recorded in the wavenumber range 400–4000 cm –1 . The thermograms of the grown crystals were recorded in the temperature range 50–900 °C. FT‐IR spectra revea…
Abstract GaSe thin films are obtained by evaporating GaSe crystals onto ultrasonically cleaned glass substrates kept at room temperature under a pressure of ∼10 –5 Torr. The X‐ray analysis revealed that these films are of amorphous nature. The reflectance and transmittance of the films are measured in the incident pho…
The charge carrier concentratioin is an important parameter in the search for intermetallic clathrates adequate for thermoelectric applications. This work reveals the influence of the exact composition of ${\mathrm{Eu}}_{8}{\mathrm{Ga}}_{16\ensuremath{-}x}{\mathrm{Ge}}_{30+x}$ on the charge carrier concentration. The…
Abstract Poly( p ‐dioxanone) (PPDO)/montmorillonite nanocomposites were prepared through the in situ ring‐opening polymerization of p ‐dioxanone (PDO) and three types of montmorillonites (natural sodium montmorillonite, montmorillonite modified by octadecyltrimethyl ammonium chloride, and montmorillonite modified by h…
Abstract At present, the high‐energy milling method becomes widely used for the preparation of nanocrystalline materials due to its relative simplicity and availability. In this research report, selected examples are presented of the preparation of nanoscale spinel ferrites by mechanical activation and mechanosynthesi…
The collective dynamics of liquid gallium close to the melting point has been studied using inelastic x-ray scattering to probe length scales smaller than the size of the first coordination shell. Although the structural properties of this partially covalent liquid strongly deviate from a simple hard-sphere model, the…
Abstract The paper presents a comparative study of a number of theoretical/experimental/numerical results concerning the dynamics of natural (gravitational), Marangoni and related mixed convection in various geometrical models of widely‐used technologies for the production of single‐crystalline materials (Horizontal a…
The need for spin-injectors having the same zinc-blende-type crystal structure as conventional semiconductor substrates has created significant interests in theoretical predictions of possible metastable ``half-metallic'' zinc-blende ferromagnets, which are normally more stable in other structure-types, e.g., NiAs. Su…
Abstract The validity of Tammann 's rule is related to the fact that the unavoidable thermal generation of point defects leads to defect‐defect interactions and finally to a breakdown of the structure. It is shown that the onset of this defect avalanche, which can be estimated by a cube root law, roughly corresponds t…
Abstract Structure and electronic structure of gibbsite and gibbsite surfaces are studied using gradient‐corrected density functional theory and a density‐functional based tight‐binding (DFTB) scheme. The electronic density‐of‐states (DOS) is insignificantly changed when comparing bulk and single‐layer (001) surfaces,…
Mn12 single molecule magnets (SMMs) survive organized grafting on Au(111) surfaces as shown by a magnetic study in the monolayer range (see Figure and inside cover). Although the magnetic features are still reminiscent of ferromagnetic SMMs, effects due to the reduced dimensionality are clearly visible. Individual mol…
This paper presents the transport properties of several composition tuned $\ensuremath{\alpha}$- and $\ensuremath{\beta}\text{\ensuremath{-}}{\mathrm{Eu}}_{8}{\mathrm{Ga}}_{16\ensuremath{-}x}{\mathrm{Ge}}_{30+x}$ samples where $0.28\ensuremath{\leqslant}x\ensuremath{\leqslant}0.48$ for the $\ensuremath{\alpha}$ sample…
The recently developed pitch-based graphitic foams have a very high thermal conductivity to weight ratio. This property allows graphitic foams to be used in several thermal management applications, especially in the aeronautics and aerospace industries. Raman spectroscopy studies were performed on the different struct…
Starting from a simple definition of stationary regime in first-order relaxation processes, we obtain that experimental results are to be fitted to a power-law when approaching the stationary limit. On the basis of this result we propose a graphical representation that allows the discrimination between power-law and s…
In spite of the apparent similarity of micro-branching instabilities in different brittle materials, we propose that the physics determining the typical length- and time-scales characterizing the post-instability patterns differ greatly from material to material. We offer a scaling theory connecting the pattern charac…
We study the interfacial structure, stability, and elastic properties of composite carbon films containing nanotubes. Our Monte Carlo simulations show that Van der Waals forces play a vital role in shaping up the interfacial geometry, producing a curved graphitic wall surrounding the tubes. The most stable structures…
We employed accurate full potential density-functional theory and linearized augmented plane wave method to investigate the electronic properties and possible phase transitions of Cu3N under high pressure. The anti perovskite structure Cu3N is a semiconductor with a small indirect band gap at ambient pressure. The ban…
The thermal expansion and heat capacity of FeSb2 at ambient pressure agrees with a picture of a temperature induced spin state transition within the Fe t_{2g} multiplet. However, high pressure powder diffraction data show no sign of a structural phase transition up to 7GPa. A bulk modulus B=84(3)GPa has been extracted…
We demonstrate that the Ba-induced Si(111)3x2 reconstruction is a physical realization of a one-dimensional antiferromagnetic Ising model with long-range Coulomb interactions. Monte Carlo simulations performed on a corresponding Coulomb-gas model, which we construct based on density-functional calculations, reveal an…
Within this paper we outline a method able to generate truly minimal basis sets which describe either a group of bands, a band, or even just the occupied part of a band accurately. These basis sets are the so-called NMTOs, Muffin Tin Orbitals of order N. For an isolated set of bands, symmetrical orthonormalization of…