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首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Investigating the order-disorder phase transition in Nd_(2-x)Y _xZr_2O_7via diffraction and spectroscopy
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Investigating the order-disorder phase transition in Nd_(2-x)Y _xZr_2O_7via diffraction and spectroscopy

机译：通过衍射和光谱研究Nd_（2-x）Y _xZr_2O_7中的无序相变

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摘要

The pyrochlore-defect fluorite phase transition in the mixed-metal zirconate Nd_(2-x)Y_xZr_2O_7 (0 ≤ x ≤ 2) solid solution was investigated using synchrotron X-ray and neutron diffraction, as well as X-ray absorption spectroscopy. Diffraction analysis revealed a two-phase region between 1.0 ≤ x ≤ 1.2. In the pyrochlore phase, Zr L_3-edge XANES analysis demonstrated a gradual change in the local coordination environment of the B site with increasing Y content that was consistent with an increase in disorder. Although Y L_3-edge XANES analysis suggested that the Y cations remained in an ordered coordination environment in the pyrochlore phase, disorder did gradually increase once the fluorite phase formed. It was found that Y cations prefer an ordered coordination environment near the phase boundary whereas Zr cations prefer a disordered coordination environment.
机译：利用同步辐射X射线和中子衍射以及X射线吸收光谱法研究了混合金属锆酸盐Nd_（2-x）Y_xZr_2O_7（0≤x≤2）固溶体中的烧绿石缺陷萤石相变。衍射分析显示出1.0≤x≤1.2之间的两相区域。在烧绿石阶段，Zr L_3-edge XANES分析表明B部位的局部配位环境随着Y含量的增加而逐渐变化，这与无序增加有关。尽管Y L_3-edge XANES分析表明，Y阳离子在烧绿石相中保留在有序的配位环境中，但一旦萤石相形成，无序度逐渐增加。发现Y阳离子更喜欢在相边界附近的有序配位环境，而Zr阳离子更喜欢无序的配位环境。

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