Understanding nanoscale structural distortions in Pb(Zr 0.2 Ti 0.8 )O 3 by utilizing X-ray nanodiffraction and clustering algorithm analysis
Understanding nanoscale structural distortions in Pb(Zr 0.2 Ti 0.8 )O 3 by utilizing X-ray nanodiffraction and clustering algorithm analysis
复制标题
利用 X 射线纳米衍射和聚类算法分析了解 Pb(Zr 0.2 Ti 0.8 )O 3 中的纳米级结构畸变
DOI：
10.1107/s1600577520013661
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发表时间：
2021
影响因子：
2.5
通讯作者：
Matzen, Sylvia
中科院分区：
文献类型：
--
作者：
Christiansen-Salameh, Joyce;Yang, Morris;Rippy, Geoffrey;Li, Jianheng;Cai, Zhonghou;Holt, Martin;Agnus, Guillaume;Maroutian, Thomas;Lecoeur, Philippe;Matzen, Sylvia
硬X射线纳米衍射提供了一种独特的非破坏性技术，以量化局部应变和结构不均匀性在纳米尺度。然而，样品的镶嵌性和相分离可能导致复杂的衍射图案，这可能使量化纳米级结构失真变得具有挑战性。在这项工作中，一个k-means聚类算法被用来确定局部最大值的强度分区衍射数据在三维特征空间的探测器坐标和强度。该技术已被应用到图案化的铁电PbZr0.2Ti0.8O3样品的X射线纳米衍射测量。分析揭示了样品中存在具有不同晶格参数的两相。在一个铁电畴内也观察到晶格参数的高度不均匀分布，其变化为0.02μ m。这种方法提供了一个微妙的结构扭曲，以及在图案化的样品中的铁电畴相分离的纳米级调查。
Hard X-ray nanodiffraction provides a unique nondestructive technique to quantify local strain and structural inhomogeneities at nanometer length scales. However, sample mosaicity and phase separation can result in a complex diffraction pattern that can make it challenging to quantify nanoscale structural distortions. In this work, a k-means clustering algorithm was utilized to identify local maxima of intensity by partitioning diffraction data in a three-dimensional feature space of detector coordinates and intensity. This technique has been applied to X-ray nanodiffraction measurements of a patterned ferroelectric PbZr0.2Ti0.8O3 sample. The analysis reveals the presence of two phases in the sample with different lattice parameters. A highly heterogeneous distribution of lattice parameters with a variation of 0.02 Å was also observed within one ferroelectric domain. This approach provides a nanoscale survey of subtle structural distortions as well as phase separation in ferroelectric domains in a patterned sample.