Abstract There is a need to develop an automatic spectral analysis method integrated with reference database as the reference database builds up. At the time of spectral analysis, the compound ratio is often estimated by comparing a measured spectrum with reference spectra of known single-phase compound samples. However, it is difficult to automate all processes, and there is the problem that the operator's arbitrariness is included in the analysis results. The present paper proposes a method that analyzes the X-ray photoelectron spectroscopy (XPS) spectrum of a multiphase compound using modeled reference XPS spectra. The proposed method estimates the component ratio of compounds in a fully automatic manner. To use reference spectra measured by different devices or cited from the literatures for spectra analysis, reference spectra are represented by a mathematical function using a peak separation method based on the Bayesian information criterion (BIC). In particular, it is clarified that the estimation accuracy is improved by simultaneously analyzing multiple core-level spectra rather than by independently analyzing only single core-level spectrum.

中文翻译：

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基于贝叶斯信息准则的多核级XPS谱分解方法的开发

摘要 随着参考数据库的建立，需要开发一种集成参考数据库的自动光谱分析方法。在光谱分析时，通常通过将测量光谱与已知单相化合物样品的参考光谱进行比较来估计化合物比率。但是，所有的工序都难以实现自动化，存在分析结果中包含操作者的任意性的问题。本文提出了一种使用模型化参考 XPS 光谱分析多相化合物的 X 射线光电子能谱 (XPS) 光谱的方法。所提出的方法以全自动方式估计化合物的组分比。要使用不同设备测量的参考光谱或从文献中引用的光谱分析，参考光谱使用基于贝叶斯信息准则 (BIC) 的峰值分离方法由数学函数表示。特别是，通过同时分析多个核心级频谱而不是单独分析单个核心级频谱来提高估计精度。