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  • doped ceriadisorderpair distribution functionhigh-resolution X-ray powder diffractionpercolationhierarchysolid electrolyteselectron spin resonance  (2)
  • perovskiteferroelectricpowder neutron diffraction  (2)
  • International Union of Crystallography (IUCr)  (4)
  • American Chemical Society
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  • International Union of Crystallography (IUCr)  (4)
  • American Chemical Society
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  • 1
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    Unknown
    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publication Date: 2017-04-27
    Keywords: perovskiteferroelectricpowder neutron diffraction
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
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  • 2
    Publication Date: 2017-03-09
    Description: The perovskite Li0.2Na0.8NbO3 is shown, by powder neutron diffraction, to display a unique sequence of phase transitions at elevated temperature. The ambient temperature polar phase (rhombohedral, space group R3c) transforms via a first-order transition to a polar tetragonal phase (space group P42mc) in the region 150–300°C; these two phases correspond to Glazer tilt systems a−a−a− and a+a+c−, respectively. At 500°C a ferroelectric–paraelectric transition takes place from P42mc to P42/nmc, retaining the a+a+c− tilt. Transformation to a single-tilt system, a0a0c+ (space group P4/mbm), occurs at 750°C, with the final transition to the aristotype cubic phase at 850°C. The P42mc and P42/nmc phases have each been seen only once and twice each, respectively, in perovskite crystallography, in each case in compositions prepared at high pressure.
    Keywords: perovskiteferroelectricpowder neutron diffraction
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
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  • 3
    Publication Date: 2015-08-01
    Description: A new hierarchical approach is presented for elucidating the structural disorder in Ce1−xGdxO2−x/2 solid solutions on different scale lengths. The primary goal of this investigation is to shed light on the relations between the short-range and the average structure of these materials via an analysis of disorder on the mesocopic scale. Real-space (pair distribution function) and reciprocal-space (Rietveld refinement and microstructure probing) analysis of X-ray powder diffraction data and electron spin resonance (ESR) investigations were carried out following this approach. On the local scale, Gd- and Ce-rich droplets (i.e. small regions a few ångströms wide) form, exhibiting either a distorted fluorite (CeO2) or a C-type (Gd2O3) structure in the whole compositional range. These droplets can then form C-type nanodomains which, for Gd concentrations xGd ≤ 0.25, are embedded in the fluorite matrix. At the site percolation threshold pC for a cubic lattice (xGd = pC ≃ 0.311), C-type nanodomains percolate inside each crystallite and a structural phase transformation is observed. When this occurs, the peak-to-peak ESR line width ΔHpp shows a step-like behaviour, which can be associated with the increase in Gd–Gd dipolar interactions. A general crystallographic rationale is presented to explain the fluorite-to-C-type phase transformation. The approach shown here could be adopted more generally in the analysis of disorder in other highly doped materials.
    Keywords: doped ceriadisorderpair distribution functionhigh-resolution X-ray powder diffractionpercolationhierarchysolid electrolyteselectron spin resonance
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
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  • 4
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    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publication Date: 2015-08-23
    Keywords: doped ceriadisorderpair distribution functionhigh-resolution X-ray powder diffractionpercolationhierarchysolid electrolyteselectron spin resonance
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
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