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Comparative neutron and X-ray diffraction analysis of anionic and cationic ordering in rare-earth zirconates (Ln = La, Nd, Tb, Yb, Y)
Journal of Alloys and Compounds ( IF 6.2 ) Pub Date : 2020-08-01 , DOI: 10.1016/j.jallcom.2020.154863 A.A. Yastrebtsev , V.V. Popov , A.P. Menushenkov , A.I. Beskrovnyi , D.S. Neov , I.V. Shchetinin , K.V. Ponkratov
Journal of Alloys and Compounds ( IF 6.2 ) Pub Date : 2020-08-01 , DOI: 10.1016/j.jallcom.2020.154863 A.A. Yastrebtsev , V.V. Popov , A.P. Menushenkov , A.I. Beskrovnyi , D.S. Neov , I.V. Shchetinin , K.V. Ponkratov
Abstract The influence of the cation radii ratio (γ = 1.37–1.61) and temperature of the isothermal annealing on the specific features of fluorite – pyrochlore phase transition in Ln2O3: ZrO2 = 1:2 (Ln = La, Nd, Tb, Yb, and Y) systems was investigated by means of Neutron (NPD) and X-ray (XRD) powder diffractions as well as Raman spectroscopy. It was shown that with a decrease in the radius of the Ln cation in the La → Nd → Tb → Y → Yb series, the following sequence of phase transitions is observed: the pyrochlore structure → the structure of defect fluorite → the rhombohedral δ-phase. Significant advantages of NPD over XRD are demonstrated for determining the structural features of the anion sublattice. A detailed description of the parameters of the vibrational modes in Raman spectra for samples with a pyrochlore type of ordering is given, depending on the refined structural parameters.
中文翻译:
稀土锆酸盐(Ln = La、Nd、Tb、Yb、Y)中阴离子和阳离子排序的比较中子和 X 射线衍射分析
摘要 阳离子半径比 (γ = 1.37–1.61) 和等温退火温度对 Ln2O3 中萤石-烧绿石相变特性的影响: ZrO2 = 1:2 (Ln = La, Nd, Tb, Yb,和 Y) 系统通过中子 (NPD) 和 X 射线 (XRD) 粉末衍射以及拉曼光谱进行了研究。结果表明,随着La→Nd→Tb→Y→Yb系列中Ln阳离子半径的减小,观察到以下相变序列:烧绿石结构→缺陷萤石结构→菱形δ-阶段。在确定阴离子亚晶格的结构特征方面,证明了 NPD 相对于 XRD 的显着优势。给出了具有烧绿石类型排序的样品的拉曼光谱中振动模式参数的详细描述,
更新日期:2020-08-01
中文翻译:
稀土锆酸盐(Ln = La、Nd、Tb、Yb、Y)中阴离子和阳离子排序的比较中子和 X 射线衍射分析
摘要 阳离子半径比 (γ = 1.37–1.61) 和等温退火温度对 Ln2O3 中萤石-烧绿石相变特性的影响: ZrO2 = 1:2 (Ln = La, Nd, Tb, Yb,和 Y) 系统通过中子 (NPD) 和 X 射线 (XRD) 粉末衍射以及拉曼光谱进行了研究。结果表明,随着La→Nd→Tb→Y→Yb系列中Ln阳离子半径的减小,观察到以下相变序列:烧绿石结构→缺陷萤石结构→菱形δ-阶段。在确定阴离子亚晶格的结构特征方面,证明了 NPD 相对于 XRD 的显着优势。给出了具有烧绿石类型排序的样品的拉曼光谱中振动模式参数的详细描述,