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首页> 外文期刊>Physical review >XANES and EXAFS study of the local order in nanocrystalline yttria-stabilized zirconia
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XANES and EXAFS study of the local order in nanocrystalline yttria-stabilized zirconia

机译：XANES和EXAFS研究纳米晶氧化钇稳定氧化锆中的局部有序

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摘要

The local order around Zr and Y atoms of nanocrystalline yttria-stabilized zirconia (YSZ) powders with different grain sizes has been investigated by x-ray absorption spectroscopies. The samples were prepared by means of mechanical alloying with or without subsequent sintering treatment and also by milling commercial YSZ. Our study is motivated by the interest in the electrical properties of grain boundaries and the controversy about the level of disorder in the intergrain regions in nanocrystalline YSZ. The x-ray absorption near edge structure (XANES) analysis indicates that the local order of all the sintered samples is independent of the grain size. This is confirmed by the analysis of the extended x-ray absorption fine structure, which points out also that, in contrast to that found in sintered samples, the local order around the cation in the samples milled without further sintering treatment extends only to the first coordination shell. Finally, the results of ab initio Zr K-edge XANES calculations lead us to conclude that the observed changes of the shape of the white line are not related to a phase transformation but reflects the short-range order present in the as-milled samples.
机译：通过X射线吸收光谱研究了具有不同晶粒尺寸的纳米晶氧化钇稳定的氧化锆（YSZ）粉末的Zr和Y原子周围的局部顺序。通过机械合金化或不进行后续烧结处理，以及通过研磨商业YSZ来制备样品。我们的研究是由对晶界的电学性质的兴趣以及有关纳米晶YSZ晶粒间区域无序水平的争论引起的。 X射线吸收近边缘结构（XANES）分析表明，所有烧结样品的局部顺序与晶粒尺寸无关。通过对扩展的X射线吸收精细结构的分析证实了这一点，该分析还指出，与在烧结样品中发现的结构相反，未经进一步烧结处理而研磨的样品中阳离子周围的局部顺序仅扩展到第一个。协调壳。最后，Zr K-edge XANES从头算的结果使我们得出结论，观察到的白线形状变化与相变无关，但反映了研磨后样品中存在的短程有序。

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  • 来源
    《Physical review》 |2013年第17期|65-74|共10页
  • 作者

    O. J. Dura; R. Boada; M. A. Lopez de la Torre; G. Aquilanti; A. Rivera-Calzada; C. Leon; J. Chaboy;

  • 作者单位

    Departamento de Fisica Aplicada and INEI, Universidad de Castilla-La Mancha, 13071 Ciudad Real, Spain;

    Instituto de Ciencia de Materiales de Aragon, Consejo Superior de Investigaciones Cientificas, Universidad de Zaragoza, 50009 Zaragoza, Spain,Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 ODE, United Kingdom;

    Departamento de Fisica Aplicada and INEI, Universidad de Castilla-La Mancha, 13071 Ciudad Real, Spain;

    Elettra-Sincrottrone Trieste, S.S. 14 km 163.5 34149 Basovizza, Trieste, Italy;

    GFMC, Departamento de Fisica Aplicada Ⅲ, Facultad de Fisica, Universidad Complutense de Madrid, Campus Moncloa, 28040 Madrid, Spain;

    GFMC, Departamento de Fisica Aplicada Ⅲ, Facultad de Fisica, Universidad Complutense de Madrid, Campus Moncloa, 28040 Madrid, Spain;

    Instituto de Ciencia de Materiales de Aragoh, Consejo Superior de Investigaciones Cientificas, Universidad de Zaragoza, 50009 Zaragoza, Spain,Departamento de Fisica de la Materia Condensada, Universidad de Zaragoza, 50009 Zaragoza, Spain;

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  • 正文语种 eng
  • 中图分类
  • 关键词

    nanocrystalline materials;

    机译：纳米晶材料;

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