Article Maximum a posteriori estimation for high-throughput peak fitting in X-ray photoelectron spectroscopy

Tarojiro Matsumura ; Naoka Nagamura SAMURAI ORCID (National Institute for Materials Science) ; Shotaro Akaho ; Kenji Nagata SAMURAI ORCID (National Institute for Materials Science) ; Yasunobu Ando

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Citation
Tarojiro Matsumura, Naoka Nagamura, Shotaro Akaho, Kenji Nagata, Yasunobu Ando. Maximum a posteriori estimation for high-throughput peak fitting in X-ray photoelectron spectroscopy. Science and Technology of Advanced Materials: Methods. 2024, 4 (1), 2373046.
SAMURAI

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(abstract)

We introduce a peak fitting method to estimate the model parameters and the number of peaks without using the conventional trial-and-error approach. The proposed method automatically removes excess peaks using maximum a posteriori estimation. The computation is performed efficiently by the spectrum-adapted expectation–conditional maximisation algorithm with deterministic annealing. We apply the proposed method to synthetic and experimental data from a tunnel field-effect transistor. The proposed method identified two peak components in the experimental data from a MoS2 sheet, which are interpreted to be the Mo 3d3/2 and Mo 3d5/2 peaks. No peaks were detected on the p-WSe2 sheet and hexagonal boron nitride (h-BN) within the measured binding energy range.

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Keyword: High-throughput analysis, Peak fitting, X-ray photoelectron spectroscopy, Maximum a posteriori estimation, Expectation– conditional maximisation algorithm

Date published: 2024-12-31

Publisher: Informa UK Limited

Journal:

  • Science and Technology of Advanced Materials: Methods (ISSN: 27660400) vol. 4 issue. 1 p. 1-15 2373046

Funding:

  • Core Research for Evolutional Science and Technology JPMJCR1761
  • JST-Mirai Program JPMJMI21G2
  • Japan Society for the Promotion of Science 21H01638
  • New Energy and Industrial Technology Development Organization P16010
  • Research Program for CORE lab 2016002
  • Acquisition, Technology & Logistics Agency JPJ004596
  • Precursory Research for Embryonic Science and Technology JPMJPR17NB

Manuscript type: Publisher's version (Version of record)

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First published URL: https://doi.org/10.1080/27660400.2024.2373046

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Updated at: 2024-12-10 16:30:32 +0900

Published on MDR: 2024-12-10 16:30:32 +0900