Tatsumi Kazuyoshi, Muto Shunsuke
J Phys Condens Matter. 2009 Mar 11;21(10):104213. doi: 10.1088/0953-8984/21/10/104213. Epub 2009 Feb 10.
In this paper, we review our recent analyses of electron energy loss near edge structure (ELNES) of particular crystalline sites, exploiting dynamical electron diffraction effects, or electron channeling, whereby the excitation weights of the Bloch waves propagating in a crystal can be controlled systematically by adjusting the diffraction conditions. A state-of-the-art data processing technique, multivariate curve resolution (MCR), can restore purely site-specific spectral profiles and their compositions from the experimental data set. Another technique, the Pixon deconvolution method, effectively removes the statistical noise, which enables us to compare the spectral fine structures with those calculated by first principles and discuss the site-specific local atomic and electronic structures. We demonstrate typical case studies in model materials and then an advanced chemical state analysis in a real material. Finally, some remarks toward further refinement of the method are made.
在本文中，我们回顾了我们最近对特定晶体位点的电子能量损失近边结构（ELNES）的分析，利用了动态电子衍射效应或电子通道效应，通过调整衍射条件，可以系统地控制在晶体中传播的布洛赫波的激发权重。一种先进的数据处理技术——多元曲线分辨率（MCR），可以从实验数据集中恢复出纯粹位点特异性的光谱轮廓及其组成。另一种技术——像素反卷积方法，能有效去除统计噪声，这使我们能够将光谱精细结构与第一性原理计算的结果进行比较，并讨论位点特异性的局部原子和电子结构。我们展示了模型材料中的典型案例研究，然后是实际材料中的先进化学态分析。最后，对该方法的进一步改进提出了一些看法。
