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Title: Valence Electron and Chemical State Analysis of Be₁₂M (M = Ti, V) Beryllides by Soft X-ray Emission Spectroscopy
Authors: Mukai, Keisuke  kyouindb  KAKEN_id  orcid (unconfirmed)
Kasada, Ryuta
Yabuuchi, Kiyohiro
Konishi, Satoshi
Kim, Jae-Hwan
Nakamichi, Masaru
Author's alias: 向井, 啓祐
藪内, 聖皓
小西, 哲之
Keywords: beryllide
DFT calculations
valence electron
Issue Date: 22-Apr-2019
Publisher: American Chemical Society (ACS)
Journal title: ACS Applied Energy Materials
Volume: 2
Issue: 4
Start page: 2889
End page: 2895
Abstract: Be-rich intermetallics (beryllides) have gathered wide attentions to be adopted for high temperature environments, particularly as an advanced neutron multiplier in fusion reactors. This study reveals the valence electron structure of Be₁₂M (M = Ti, V) by using soft X-ray emission spectroscopy with ultra-high resolution (~0.22 eV). The Be-Kα spectra from the Be₁₂M phases show significantly lower densities of the occupied states near the Be-K edge than thaose of metallic beryllium. Theoretical calculations indicate that changes in the valence electron structure are derived from the large downward shift of the Fermi level in Be₁₂M, by at least 0.8 eV. Based on the knowledge of the valence electron structures and the chemical shift, chemical state mappings of BeO and Be₁₂V in the oxidized beryllide specimen were successfully obtained. The approach is applicable for visualization and identification of metallic/oxidized phase in light-element compounds by electron microscope.
Description: 軽元素ベリリウムの化学状態分布の解析に成功 --機能性エネルギー材料の開発に貢献--. 京都大学プレスリリース. 2019-03-29.
Rights: This document is the Accepted Manuscript version of a Published Work that appeared in final form in ACS Applied Energy Materials, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see
The full-text file will be made open to the public on 7 March 2020 in accordance with publisher's 'Terms and Conditions for Self-Archiving.
This is not the published version. Please cite only the published version. この論文は出版社版でありません。引用の際には出版社版をご確認ご利用ください。
DOI(Published Version): 10.1021/acsaem.9b00223
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