Lugg Nathan R, Neish Melissa J, Findlay Scott D, Allen Leslie J
1School of Physics,The University of Melbourne,Parkville,Victoria 3010,Australia.
3School of Physics,Monash University,Clayton,Victoria 3800,Australia.
Microsc Microanal. 2014 Aug;20(4):1078-89. doi: 10.1017/S1431927614000804. Epub 2014 Apr 23.
A method to remove the effects of elastic and thermal diffuse scattering (TDS) of the incident electron probe from electron energy-loss and energy-dispersive X-ray spectroscopy data for atomically resolved spectrum images of single crystals of known thickness is presented. By calculating the distribution of the probe within a specimen of known structure, it is possible to deconvolve the channeling of the probe and TDS from experimental data by reformulating the inelastic cross-section as an inverse problem. In electron energy-loss spectroscopy this allows valid comparisons with first principles fine-structure calculations to be made. In energy-dispersive X-ray spectroscopy, direct compositional analyses such as ζ-factor and Cliff-Lorimer k-factor analysis can be performed without the complications of channeling and TDS. We explore in detail how this method can be incorporated into existing multislice programs, and demonstrate practical considerations in implementing this method using a simulated test specimen. We show the importance of taking into account the scattering of the probe in k-factor analysis in a zone axis orientation. The applicability and limitations of the method are discussed.
本文提出了一种从已知厚度的单晶原子分辨光谱图像的电子能量损失和能量色散X射线光谱数据中去除入射电子探针的弹性和热漫散射（TDS）影响的方法。通过计算探针在已知结构样品中的分布，可以将非弹性截面重新表述为一个反问题，从而从实验数据中解卷积探针的沟道效应和TDS。在电子能量损失光谱中，这使得能够与第一性原理精细结构计算进行有效的比较。在能量色散X射线光谱中，可以进行诸如ζ因子和Cliff-Lorimer k因子分析等直接成分分析，而无需考虑沟道效应和TDS的复杂性。我们详细探讨了如何将该方法纳入现有的多切片程序，并使用模拟测试样品展示了实施该方法的实际考虑因素。我们展示了在区轴取向的k因子分析中考虑探针散射的重要性。讨论了该方法的适用性和局限性。
