Search results for "Solid"

<title>Nature of fundamental absorption edge of WO<formula><inf><roman>3</roman></inf></formula></title&…

1997

The fundamental absorption edge of amorphous, polycrystalline and crystalline tungsten trioxide (WO3) thin films obtained by different techniques (thermal evaporation, rf plasma sputtering, chemical gas transport) was investigated. Special attention was paid to correct measurements of absorption values of all WO3 thin films taking into account the scattered light, interference effects and reflection losses. The indirect edge at 2.70 eV was determined for crystalline WO3, but for crystal WO3:Ti the direct edge in the same place (2.72 eV) was found. For polycrystalline WO3 thin film first edge transition located at 2.76 eV had a quadratic dependence similar to the amorphous film at a higher p…

Effect of Hydrostatic Pressure on the Phase Transitions of {N(CH3)4}2ZnCl4-xBrxMixed Crystals

1991

Single crystals of the solid solution system {N(CH 3 ) 4 } 2 ZnCl 4- x Br x have been prepared in a low x region, and the effect of hydrostatic pressure on the phase transitions were measured for x =0.2 and 0.3. The normal-to-incommensurate phase transition temperatures increase linearly with increasing pressure with the rates of 0.126 K/MPa and 0.129 K/MPa for x =0.2 and 0.3 crystals, respectively. The ferroelectric III phase disappears at about 60 MPa for x =0.2 crystal. On the other hand, phase III is not observed for the x =0.3 crystal both at 0 pressure and at high pressures. The II-IV or III-IV transition temperatures also increases with increasing pressure with the rates of 0.162 K/M…

On melting of two-dimensional monolayer films

1996

The melting of two-dimensional films formed on the (100) fcc crystal is studied by Monte Carlo simulation. The results obtained suggest that in systems with only weakly corrugated surface potential, exhibiting the hexagonal close packed solid structure, the melting transition is followed by the lsing-like transition as predicted by the theory of Nelson and Halperin. In the case of highly corrugated surface potential, the film forms registered structure which disorders gradually as the temperature is raised.

Average Structure vs. Real Structure: Molecular Dynamics Studies of Silica

2003

The microscopic structure of a crystal and thermal fluctuations of the atoms constituting the crystal are intimately connected with the macroscopic elastic properties including mechanical stability. In some cases, however, the picture is more complex than that which is drawn in text books on solid state physics. (i) The instantaneous microscopic structure can deviate in a non-Gaussian way from the average structure even when domain disorder and/or crystal defects are absent. Quasi harmonic approximations may then turn out to be meaningless. (ii) The crystal is subject to external pressures that are sufficiently large in order to render the definition of elastic constants non unique. These t…

High-Fluence Implantation of Erbium into Silicon-Germanium Alloys: Structural and Thermal Properties

2000

AbstractHigh-quality crystalline Si1-xGex (x=0.10 and 0.25) alloys were implanted with 70 keV Er+ ions at temperatures of 350°C and 550°C to a fluence of 1015 cm−2. In-situ Rutherford backscattering/channeling (RBS) analysis supplemented with transmission electron microscopy (TEM) showed that as-implanted alloys were in form of ternary solid solutions with a peak Er concentration of 1 at.% without any trace of Er-Si or Er-Ge precipitation.In the samples implanted at 350°C Er atoms were found to be distributed randomly in the amorphous host matrix. Post-implantation annealing at different temperatures up to 600° showed that the solid phase epitaxial regrowth of the damaged layers strongly de…

Über die intensitätsabhängigkeit der ultrarotbanden von der temperatur und vom kristallisationsgrad

1961

Beim Erhitzen von Polyathylenen und Paraffin geben die amorphen Banden bei 7,68μ und 7,38μ die Abnahme des Kristallisationsgrades richtig wieder, die kristalline Bande bei 13,7μ zeigt dagegen eine uber das partielle Schmelzen hinausgehende, durch Torsionsschwingungen der Ketten im Kristallgitter bedingte Intensitatsabnahme. Beim Terylen zeigen alle von uns untersuchten kristallinen und amorphen Banden eine verschiedene Abhangigkeit von der Temperaturbewegung, wobei einige amorphe Banden beim Erhitzen sogar verschwinden. Bei Messungen bei konstanter Temperatur zeigen alle Banden im Verlauf einer Kristallisation eine ubereinstimmende Veranderung mit zunehmendem Kristallisationsgrad. At the he…

1979

2D NMR spectra have been measured at variable temperatures between −100°C and +110°C in a sample of melt crystallized deuterated polyethylene (PE). The line shape could be decomposed into a central part originating from deuterons in the amorphous regions and outer parts from crystalline regions of PE. The “NMR crystallinity” determined from this separation was 72% in agreement with the X-ray crystallinity of 74%. Changes of the crystalline NMR line shape were interperted in terms of oscillations around the chain axis, the r.m.s. oscillation amplitude varying from 5° at 40°C to 12° at 110°C. The central part of the NMR line shape indicates the existence of a “narrow” and a “medium” component…

Morphotropic ceramic solid solutions of the Pb(B3+½Nb½)O3- PbTiO3binary system

2000

Abstract The structure, dielectric, ferroelectric and electromechanical properties of lead lutecium niobate-titanate (PLuNT) and lead erbium niobate-titanate (PErNT) binary systems are reported. The data of phase diagram, crystallographic symmetry and morphotropic phase boundaries (MPB) are provided. High values of the electromechanical coupling coefficients kp = 0.66, kt = 0.48, k31 = 0.36 of (1−x)PLuN − xPT ceramics are attained in compositions near the MPB at x≈0.41.

Tetranitroresorcin[4]arene: synthesis and structure of a new stereoisomer

2009

The direct reaction between 2-nitroresorcinol and acetaldehyde in alkaline medium yields tetranitro-C1-resorcin[4]arene in a moderate 8.2% overall yield which was characterized by single crystal X-ray crystallography, 1H NMR spectroscopy and electrospray ionization mass spectrometry (ESI-MS). In solution and in the solid state, the product adopts a unique, thermally stable and unprecedented rcct-boat conformation.

Ab initio calculations of the Ni K ‐edge XANES in Ni c Mg 1‐c O solid solutions

2005

An interpretation of the Ni K-edge X-ray absorption near edge structure (XANES) in pure NiO and NicMg1-cO solid solutions is given based on three types of ab initio theoretical calculations: the full-multiple-scattering (FMS) approach, the finite difference method (FDM) and the full potential linear muffin-tin orbital (FP-LMTO) method within the LSDA+U approach. The first two methods differ in the cluster potential approximation: the spherically symmetric muffin-tin potential is used in the FMS approach, whereas a non-muffin-tin numerical potential makes the core of the FDM. We found that the FMS and FDM techniques allow rather accurate description of the experimental XANES signal especiall…