journal article·2021-12-01Open access

Bayesian sparse modeling of extended x-ray absorption fine structure to determine interstitial oxygen positions in yttrium oxyhydride epitaxial thin film

Hiroyuki Kumazoe, Yasuhiko Igarashi, Fabio Iesari, Ryota Shimizu, Yuya Komatsu, Taro Hitosugi, Daiju Matsumura, Hiroyuki Saitoh, Kazunori Iwamitsu, Toshihiro Okajima, Yoshiki Seno, Masato Okada, Ichiro Akai

AIP Advances· Volume 11· Issue 12

Abstract

This article presents a Bayesian sparse modeling method to analyze extended x-ray absorption fine structure (EXAFS) data with basis functions built on two-body signals. This method does not require any structural model and allows us to evaluate regression coefficients proportional to the radial distribution functions of the respective elements and their errors and is very effective for analysis of EXAFS with weak absorption intensity and severe signal-to-noise ratios. As an application example, we used it to analyze the EXAFS of an yttrium oxyhydride (YOxHy) epitaxial thin film. These EXAFS data show weak absorption intensity and a severe signal-to-noise ratio due to the small amount of x-ray absorption in the thin film sample. However, this approach revealed that the radial distance ratio of the second neighbor yttrium to the first neighbor oxygen coincides with that of a tetrahedral configuration. This result demonstrates that the interstitial oxygen position is tetrahedral in the YOxHy thin film.
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Research context

OpenAlex topics: X-ray Spectroscopy and Fluorescence Analysis · Machine Learning in Materials Science · Nuclear reactor physics and engineering

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Institute of Industrial Nanomaterials, Kumamoto University 1 , Kumamoto 860-8555, Japan

Faculty of Engineering, Information and Systems, University of Tsukuba 2 , Tsukuba 305-8573, Japan

Japan Science and Technology Agency, PRESTO 3 , Saitama 332-0012, Japan

Aichi Synchrotron Radiation Center 4 , Aichi 489-0965, Japan

School of Materials and Chemical Technology, Tokyo Institute of Technology 5 , Tokyo 152-8552, Japan

Materials Sciences Research Center, Japan Atomic Energy Agency 6 , Hyogo 679-5148, Japan

Quantum Beam Science Research Directorate, National Institute for Quantum Science and Technology 7 , Hyogo 679-5148, Japan

Technical Division, Kumamoto University 8 , Kumamoto 860-8555, Japan

Kyushu Synchrotron Light Research Center 9 , Saga 841-0005, Japan

Department of Complexity Science and Engineering, The University of Tokyo 10 , Chiba 277-8561, Japan

Research and Services Division of Materials Data and Integrated System, National Institute for Materials Science 11 , Ibaraki 305-0047, Japan

Funding

Core Research for Evolutional Science and Technology · Precursory Research for Embryonic Science and Technology · Japan Society for the Promotion of Science · AGC

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