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Development of automatic analysis technique for microstructure and chemical state of materials by X-ray photoelectron spectroscopy

Research Project

Project/Area Number 18K05191
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Review Section Basic Section 34020:Analytical chemistry-related
Research InstitutionNational Institute for Materials Science

Principal Investigator

YOSHIKAWA Hideki  国立研究開発法人物質・材料研究機構, 統合型材料開発・情報基盤部門, 副センター長 (20354409)

Project Period (FY) 2018-04-01 – 2021-03-31
Project Status Completed (Fiscal Year 2020)
Budget Amount *help
¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2020: ¥390,000 (Direct Cost: ¥300,000、Indirect Cost: ¥90,000)
Fiscal Year 2019: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Fiscal Year 2018: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
KeywordsXPS / シミュレーター / 数理モデル化 / 情報量規準 / XPSシミュレーター / スパースモデリング / Ⅹ線エネルギー可変XPS / 硬Ⅹ線光電子分光 / 情報量基準 / X線光電子分光 / シミュレータ / 評価関数
Outline of Final Research Achievements

Using the XPS simulator SESSA, we have produced a script that automatically calculates a huge number of XPS spectra for samples with internal structures such as multilayers by varying the shape, composition, and compound species of each structural element. Each simulated XPS spectrum consists of survey spectra and inner-shell spectra with background spectra in full energy region, and reproduces the experimental results precisely. In order to perform data-driven XPS data analysis to estimate the internal structure of the sample by matching the spectral results obtained from this simulator with the measured results, we have developed sparse modeling of the spectra that can be adapted to the simulation results.

Academic Significance and Societal Importance of the Research Achievements

一般にXPSのスペクトル解析は、解析にあたって考慮すべき物理的因子や材料化学的因子が多いため、電子分光における知識と豊富な経験を有するエキスパートによる緻密で時間をかけた解析を必要とする。一方、近年のXPS装置の検出感度の向上によって、短時間で数多くのデータが得られるようになり、データ解析のハイスループット化が必要とされている。本研究成果は、XPSデータ解析のハイスループット化を実現すると共に、得られた解の分布を得ることもでき、解の精度保証も可能とする。

Report

(4 results)
  • 2020 Annual Research Report   Final Research Report ( PDF )
  • 2019 Research-status Report
  • 2018 Research-status Report
  • Research Products

    (9 results)

All 2020 2019 2018

All Journal Article (3 results) (of which Peer Reviewed: 3 results,  Open Access: 1 results) Presentation (6 results) (of which Int'l Joint Research: 1 results)

  • [Journal Article] Development of spectral decomposition based on Bayesian information criterion with estimation of confidence interval2020

    • Author(s)
      Shinotsuka Hiroshi、Nagata Kenji、Yoshikawa Hideki、Mototake Yoh-Ichi、Shouno Hayaru、Okada Masato
    • Journal Title

      Science and Technology of Advanced Materials

      Volume: 21 Issue: 1 Pages: 402-419

    • DOI

      10.1080/14686996.2020.1773210

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Automated information compression of XPS spectrum using information criteria2019

    • Author(s)
      Hiroshi Shinotsuka, Hideki Yoshikawa, Ryo Murakami, Kazuki Nakamura, Hiromi Tanaka, Kazuhiro Yoshihara
    • Journal Title

      Journal of Electron Spectroscopy and Related Phenomena

      Volume: 239 Pages: 146903-146903

    • DOI

      10.1016/j.elspec.2019.146903

    • Related Report
      2019 Research-status Report
    • Peer Reviewed
  • [Journal Article] Automated peak fitting of XPS spectrum using information criteria2019

    • Author(s)
      H. Shinotsuka, H. Yoshikawa, R. Murakami, K Nakamura, H. Tanaka, and K. Yoshihara
    • Journal Title

      J. Surface Analysis

      Volume: 26 Pages: 126-127

    • NAID

      130007920711

    • Related Report
      2019 Research-status Report
    • Peer Reviewed
  • [Presentation] 情報量規準を用いた信頼区間推定付きのXPSスペクトルの自動スパースモデリング2020

    • Author(s)
      篠塚 寛志,永田 賢二,吉川 英樹,本武 陽一,庄野 逸,岡田 真人
    • Organizer
      第81回応用物理学会 秋季学術講演会
    • Related Report
      2020 Annual Research Report
  • [Presentation] 情報量規準を用いた信頼区間推定付きのXPSスペクトルの自動解析2020

    • Author(s)
      篠塚 寛志,永田 賢二,吉川 英樹,本武 陽一,庄野 逸,岡田 真人
    • Organizer
      2020年日本表面真空学会学術講演会
    • Related Report
      2020 Annual Research Report
  • [Presentation] Automated peak fitting of XPS spectrum using information criteria2019

    • Author(s)
      H. Shinotsuka, H. Yoshikawa, R. Murakami, K Nakamura, H. Tanaka, and K. Yoshihara
    • Organizer
      8-th International Symposium on Practical Surface Analysis (PSA-19)
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research
  • [Presentation] NIMSデータプラットフォームセンターにおける計測データの自動収集と機械可読化の取り組みの紹介2019

    • Author(s)
      吉川英樹
    • Organizer
      光ビームプラットフォームシンポジウム2019
    • Related Report
      2018 Research-status Report
  • [Presentation] XPSスペクトル解析における情報量基準を用いたモデル選択2018

    • Author(s)
      篠塚寛志,吉川英樹,村上諒,仲村和貴,田中博美,吉原一紘
    • Organizer
      2018年度実用表面分析講演会PSA-18
    • Related Report
      2018 Research-status Report
  • [Presentation] 情報量基準を使ったXPSスペクトルの自動情報圧縮2018

    • Author(s)
      篠塚寛志,吉川英樹,村上諒,仲村和貴,田中博美,吉原一紘
    • Organizer
      2018年日本表面真空学会学術講演会
    • Related Report
      2018 Research-status Report

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Published: 2018-04-23   Modified: 2022-03-04  

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