Valence Electron and Chemical State Analysis of Be12M (M = Ti, V) Beryllides by Soft X-ray Emission Spectroscopy

Keisuke Mukai; Ryuta Kasada; Kiyohiro Yabuuchi; Satoshi Konishi; Jae Hwan Kim; Masaru Nakamichi

doi:10.1021/acsaem.9b00223

Valence Electron and Chemical State Analysis of Be₁₂M (M = Ti, V) Beryllides by Soft X-ray Emission Spectroscopy

Keisuke Mukai, Ryuta Kasada, Kiyohiro Yabuuchi, Satoshi Konishi, Jae Hwan Kim, Masaru Nakamichi

IMR - Materials Design Division

Research output: Contribution to journal › Article › peer-review

7 Citations (Scopus)

Abstract

Be-rich intermetallics (beryllides) have gathered wide attentions to be adopted for high temperature environments, such 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 ultrahigh 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.

Original language	English
Pages (from-to)	2889-2895
Number of pages	7
Journal	ACS Applied Energy Materials
Volume	2
Issue number	4
DOIs	https://doi.org/10.1021/acsaem.9b00223
Publication status	Published - 2019 Apr 22

Keywords

beryllide
DFT calculations
intermetallics
microstructure
oxidation
valence electron

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10.1021/acsaem.9b00223

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title = "Valence Electron and Chemical State Analysis of Be12M (M = Ti, V) Beryllides by Soft X-ray Emission Spectroscopy",

abstract = "Be-rich intermetallics (beryllides) have gathered wide attentions to be adopted for high temperature environments, such 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 ultrahigh 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.",

keywords = "beryllide, DFT calculations, intermetallics, microstructure, oxidation, valence electron",

author = "Keisuke Mukai and Ryuta Kasada and Kiyohiro Yabuuchi and Satoshi Konishi and Kim, {Jae Hwan} and Masaru Nakamichi",

note = "Funding Information: This work is supported by the Joint Usage/Research Program on Zero-Emission Energy Research, Institute of Advanced Energy, Kyoto University (ZE29A-12, ZE30A-23). Publisher Copyright: {\textcopyright} 2019 American Chemical Society.",

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doi = "10.1021/acsaem.9b00223",

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T1 - Valence Electron and Chemical State Analysis of Be12M (M = Ti, V) Beryllides by Soft X-ray Emission Spectroscopy

AU - Mukai, Keisuke

AU - Kasada, Ryuta

AU - Yabuuchi, Kiyohiro

AU - Konishi, Satoshi

AU - Kim, Jae Hwan

AU - Nakamichi, Masaru

N1 - Funding Information: This work is supported by the Joint Usage/Research Program on Zero-Emission Energy Research, Institute of Advanced Energy, Kyoto University (ZE29A-12, ZE30A-23). Publisher Copyright: © 2019 American Chemical Society.

PY - 2019/4/22

Y1 - 2019/4/22

N2 - Be-rich intermetallics (beryllides) have gathered wide attentions to be adopted for high temperature environments, such 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 ultrahigh 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.

AB - Be-rich intermetallics (beryllides) have gathered wide attentions to be adopted for high temperature environments, such 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 ultrahigh 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.

KW - beryllide

KW - DFT calculations

KW - intermetallics

KW - microstructure

KW - oxidation

KW - valence electron

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Valence Electron and Chemical State Analysis of Be₁₂M (M = Ti, V) Beryllides by Soft X-ray Emission Spectroscopy

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