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High-temperature neutron powder diffraction study of scandia/nitrogen co-doped zirconia

Lerch, Martin and Boysen, Hans and Roedel, Christoph and Kaiser-Bischoff, Ines and Hoelzel, Markus and Senyshyn, Anatoliy (2007):
High-temperature neutron powder diffraction study of scandia/nitrogen co-doped zirconia.
In: Zeitschrift für Kristallographie, OLDENBOURG VERLAG, LEKTORAT MINT, POSTFACH 80 13 60, D-81613 MUNICH, GERMANY, pp. 335-340, 222, (7), ISSN 0044-2968,
[Online-Edition: http://dx.doi.org/10.1524/zkri.2007.222.7.335],
[Article]

Abstract

The structural evolution of a scandia/nitrogen co-doped zirconia sample, SC0.148Zr0.852O1.72N0.14, was investigated by neutron powder diffraction up to 1700 degrees C. At ambient temperature it has an anion-deficient fluorite related beta'-type structure with ordered anion vacancies (space group R (3) over bar, a = 9.5611 angstrom, c = 17.5020 angstrom). With increasing temperature a gradual transformation into a cubic fluorite-type phase (Fm3m) with randomly distributed vacancies takes place which is accompanied by an enrichment of Sc in the rhombohedral phase and completed at similar to 1050 degrees C. At higher temperatures probability densities and single particle potentials of the anions were determined. The incorporation of nitrogen into the scandia-zirconia material significantly increased the activation energy for anion migration to values above 1 eV. The anions migrate predominantly along the < 100 >-directions to neighbouring sites.

Item Type: Article
Erschienen: 2007
Creators: Lerch, Martin and Boysen, Hans and Roedel, Christoph and Kaiser-Bischoff, Ines and Hoelzel, Markus and Senyshyn, Anatoliy
Title: High-temperature neutron powder diffraction study of scandia/nitrogen co-doped zirconia
Language: English
Abstract:

The structural evolution of a scandia/nitrogen co-doped zirconia sample, SC0.148Zr0.852O1.72N0.14, was investigated by neutron powder diffraction up to 1700 degrees C. At ambient temperature it has an anion-deficient fluorite related beta'-type structure with ordered anion vacancies (space group R (3) over bar, a = 9.5611 angstrom, c = 17.5020 angstrom). With increasing temperature a gradual transformation into a cubic fluorite-type phase (Fm3m) with randomly distributed vacancies takes place which is accompanied by an enrichment of Sc in the rhombohedral phase and completed at similar to 1050 degrees C. At higher temperatures probability densities and single particle potentials of the anions were determined. The incorporation of nitrogen into the scandia-zirconia material significantly increased the activation energy for anion migration to values above 1 eV. The anions migrate predominantly along the < 100 >-directions to neighbouring sites.

Journal or Publication Title: Zeitschrift für Kristallographie
Volume: 222
Number: 7
Publisher: OLDENBOURG VERLAG, LEKTORAT MINT, POSTFACH 80 13 60, D-81613 MUNICH, GERMANY
Uncontrolled Keywords: zirconia; neutron diffraction; solid electrolytes; powder diffraction structure analysis
Divisions: 11 Department of Materials and Earth Sciences
11 Department of Materials and Earth Sciences > Material Science > Structure Research
11 Department of Materials and Earth Sciences > Material Science
Date Deposited: 20 Nov 2008 08:27
Official URL: http://dx.doi.org/10.1524/zkri.2007.222.7.335
Identification Number: doi:10.1524/zkri.2007.222.7.335
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