CTM4XAS 程序，用于过渡金属 L 边的电子能量损失谱和 X 射线吸收谱谱形分析。
The CTM4XAS program for EELS and XAS spectral shape analysis of transition metal L edges.
机构信息
Inorganic Chemistry and Catalysis, Utrecht University, Sorbonnelaan 16, Utrecht, Netherlands.
出版信息
Micron. 2010 Oct;41(7):687-94. doi: 10.1016/j.micron.2010.06.005. Epub 2010 Jul 1.
The CTM4XAS program for the analysis of transition metal L edge Electron Energy Loss Spectroscopy (EELS) or X-ray Absorption Spectra (XAS) is explained. The physical background of the calculations is briefly discussed. The program consists of three theoretical components, based on, respectively, atomic multiplet theory, crystal field theory and charge transfer theory. The theoretical concepts are explained and a number of examples are presented. The calculation of the 2p EELS and XAS spectra of transition metal ions, is given in detail, including their Magnetic Circular Dichroism (MCD). In addition, examples of 1s, 2s, 3s, 2p and 3p X-ray Photoemission Spectroscopy (XPS) are given.
CTM4XAS 程序用于分析过渡金属 L 边电子能量损失谱（EELS）或 X 射线吸收谱（XAS）。本文简要讨论了计算的物理背景。该程序由三个理论部分组成，分别基于原子多重态理论、晶体场理论和电荷转移理论。解释了理论概念，并给出了一些例子。详细给出了过渡金属离子的 2p EELS 和 XAS 谱及其磁圆二色性（MCD）的计算。此外，还给出了 1s、2s、3s、2p 和 3p X 射线光电子能谱（XPS）的例子。
Zotero 插件