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We developed and implemented a fully automated method to perform X-ray photoelectron spectroscopy (XPS) spectral analysis based on the active Shirley method and information criteria. Our method searches a large number of initial fitting models by changing the degree of smoothing, and then optimizes the peak parameters and background parameters to obtain a large number of fitting results. The goodness of those optimized models is ranked using information criteria. As a result of applying this algorithm to measured XPS spectra, we found that, using the Bayesian information criterion (BIC), a simple model with reasonably good agreement and a moderate number of peaks was selected. The model selected by the BIC was close to the result of peak fitting performed by XPS analysis experts.

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• Creative Commons BY-NC-ND Attribution-NonCommercial-NoDerivs 4.0 International
  Creative Commons BY-NC-ND Attribution-NonCommercial-NoDerivs 4.0 International

Keyword: Active Shirley method, Akaike information criterion (AIC), Bayesian information criterion (BIC), X-ray photoelectron spectroscopy (XPS)

Date published: 2019-12-03

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Journal:

• Journal of Electron Spectroscopy and Related Phenomena

Funding:

Manuscript type: Not a journal article

MDR DOI: https://doi.org/10.48505/nims.3459

First published URL: https://doi.org/10.1016/j.elspec.2019.146903

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Updated at: 2024-01-05 22:12:40 +0900

Published on MDR: 2022-06-24 19:24:47 +0900