Search results for "Crystallite"

Experimentally constrained density-functional calculations of the amorphous structure of the prototypical phase-change materialGe2Sb2Te5

2009

Phase change materials involve the rapid and reversible transition between nanoscale amorphous $(a\text{\ensuremath{-}})$ and crystalline $(c\text{\ensuremath{-}})$ spots in a polycrystalline film and play major roles in the multimedia world, including nonvolatile computer memory. The materials of choice are alloys of Ge, Sb, and Te, e.g., ${\text{Ge}}_{2}{\text{Sb}}_{2}{\text{Te}}_{5}$ (GST) in digital versatile disk--random access memory. There has been much speculation about the structure of $a\text{\ensuremath{-}}$ GST, but no model has yet received general acceptance. Here we optimize the structure by combining the results of density-functional calculations with high-energy x-ray diffr…

1989

Some structurally disordered models for poly(tetrafluoroethylene) were elaborated and the corresponding calculated X-ray diffraction patterns compared with experimental patterns. This and differential scanning calorimetry results suggest some differences between the virgin powder and a sintered polycrystalline plate of poly(tetrafluoroethylene). These differences may be related to the crystal phase transitions that occur in a range of temperatures close to room temperature.

Vapor growth of Hg1−xCdxI2 on glass using CdTe buffer

2001

Abstract Vapor phase epitaxy (VPE) of Hg1−xCdxI2 layers on glass substrates covered by a CdTe buffer layer has been studied. The buffer layers of 2–4 μm thickness were formed by VPE using polycrystalline CdTe and Cd metal sources. The Hg1−xCdxI2 layers were grown using a (Hg1−yCdy)1−z(I2)z polycrystalline source, with a composition in the range of y=0.1–0.5 and z=0.5–0.8. Scanning electron microscopy and X-ray diffraction studies have shown that the composition and structure of Hg1−xCdxI2 layers depend strongly on the VPE conditions. Varying the growth time and source composition, it has been possible to obtain Hg1−xCdxI2 layers with the composition x in the range from approximately 0 (HgI2…

X-ray diffraction line broadening on vibrating dry-milled Two Crows sepiolite

2006

A reference sample of sepiolite and products of its comminution by vibrating dry-milling have been studied using X-ray diffraction (XRD) line-broadening analysis, complementary field emission scanning electron microscopy (FESEM) images and surface area measurements. The apparent crystallite sizes determined via XRD are in agreement with observations on FESEM images. The sepiolite aggregates consist of lath-shaped agglutinations of prisms and pinacoids elongated along [001], each lath including several crystallites in that direction. The surface area magnitudes are in the range of previous experimental measurements of other sepiolites. The results obtained show the effectiveness of vibro-mil…

Elastic Properties of Barium Zirconate Titanate Ceramics

2011

In the paper the influence of zirconium admixture on the structure and material constants of polycrystalline ferroelectric materials BaZrxTi1-xO3 (BZT) was examined. The barium zirconate titanate samples were prepared by a conventional solid state reaction method. A single phase with perovskite structure of the samples, was identified by an X-Ray diffraction technique at room temperature. The performed EDS study revealed that the samples were perfectly sintered and the material was chemically homogeneous. The dependence of shear modulus G on sample composition is similar to the respective dependence of Young's modulus E, whereas the Poisson's ratio ν decreases with the increase in zirconium…

Long Periods in Drawn Polyethylene

1962

Meridional reflections appearing in small-angle X-ray diffraction diagrams of drawn polyethylene are caused by a nearly periodic arrangement of crystalline and disordered regions. The long period, which is determined by the average distance between two consecutive crystallites, depends on the method of preparing the sample. The time and temperature dependences of the positions of the small-angle reflections have been investigated. The growth of the long period of unoriented bulk polyethlene and polyethylene single crystal follows the same time dependence as that of stretched films. However, characteristic differences were obseved in the relationship between density and long period; they are…

Stability of non-stoichiometric laof phases: x-ray diffraction investigation

1998

Summary The X-ray diffraction patterns of the polycrystalline LaO 1−x F 1+2x (0.05≤x≤0.3) phases were measured at room temperature and analyzed by the Rietveld profile refinement method. All compounds crystallize in the tetragonal PbFCl-type structure with P4/nmm as the space group. No distortion to lower orthorhombic symmetry was observed. The tetragonal lattice parameters a and c increase with increasing excess of fluoride. The La-oxygen (La-fluorine) distances first decrease (increase) but then these trends are reversed. The Global Instability Index calculated from the bond valence model increases towards the higher fluoride content of the compounds indicating decreasing stability

Using FOCUS to solve zeolite structures from three-dimensional electron diffraction data

2013

The programFOCUS[Grosse-Kunstleve, McCusker & Baerlocher (1997).J. Appl. Cryst.30, 985–995] was originally developed to solve zeolite structures from X-ray powder diffraction data. It uses zeolite-specific chemical information (three-dimensional 4-connected framework structure with known bond distances and angles) to supplement the diffraction data. In this way, it is possible to compensate, at least in part, for the ambiguity of the reflection intensities resulting from reflection overlap, and the program has proven to be quite successful. Recently, advances in electron microscopy have led to the development of automated diffraction tomography (ADT) and rotation electron diffraction (R…

Coupled Semiconductor Systems for Photocatalysis. Preparation and Characterization of Polycrystalline Mixed WO3/WS2 Powders

1999

Mixed WO3/WS2 powders were prepared by oxidation of WS2. The physical properties of the samples were characterized by X-ray diffraction, diffuse reflectance spectroscopy, and scanning electron microscopy; they were strongly dependent upon the time and temperature of oxidation. The chemical state and the elemental distribution of the sample surface were investigated by X-ray photoelectron spectroscopy. The photocatalytic results have showed that the aqueous suspensions of the mixed WO3/WS2 systems have significantly higher activities than pure WS2 and WO3 for the photodegradation of phenol. The enhanced performance can be related to the presence of heterojunctions WO3/WS2 on the single parti…

Dependence of the Lattice Parameter of Magnesium Oxide on Crystallite Size

1966

Lattice parameters were measured on MgO specimens prepared in air between 450° and 1200°C. The lattice parameter, a, decreases with increase in preparation temperature, Tp, and with increase in crystallite size. A hydroxide layer is present on the MgO particles. If MgO is prepared in vacuum, a increases as Tp increases and as crystallite size, D, increases. It is concluded that a dilatant volume stress is imposed by the hydroxide layer. It is also shown that the oxide surface reactivity toward water is linked to the deviation from perfect order ensuing from low preparation temperatures.