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Local and electronic structure of Am$$_{2}$$O$$_{3}$$ and AmO$$_{2}$$ with XAFS spectroscopy

X線吸収分光法を用いたAm$$_{2}$$O$$_{3}$$及びAmO$$_{2}$$の局所構造と電子構造の解明

西 剛史; 中田 正美; 鈴木 知史; 柴田 裕樹; 伊藤 昭憲; 赤堀 光雄; 平田 勝

Nishi, Tsuyoshi; Nakada, Masami; Suzuki, Chikashi; Shibata, Hiroki; Ito, Akinori; Akabori, Mitsuo; Hirata, Masaru

希土類A型構造を持つアメリシウム三二酸化物(Am$$_{2}$$O$$_{3}$$)と蛍石型構造を持つ二酸化アメリシウム(AmO$$_{2}$$)のX線吸収微細構造に関する研究を行った。Am$$_{2}$$O$$_{3}$$及びAmO$$_{2}$$のAm-L$$_{3}$$吸収端のEXAFSの結果はX線回折から得られる結晶データと良い一致を示した。また、電子構造の観点からX線吸収端構造を評価するために、Am$$_{2}$$O$$_{3}$$及びAmO$$_{2}$$の理論的解析をFP-LAPW法を用いて行った。この解析結果から、理論的解析により求められたXANESスペクトルは実験で得られたスペクトルと良い一致を示し、XANESスペクトルのホワイトラインはAm-dとO-p成分の相互作用から、セカンドピークとホワイトラインのテールピークはAm-dとO-d成分の相互作用から形成されることが明らかとなった。

XAFS studies were performed in a study of americium sesquioxide (Am$$_{2}$$O$$_{3}$$) with A-type rare earth oxide structure and americium dioxide (AmO$$_{2}$$) with fluorite structure. EXAFS results for Am-L$$_{3}$$ absorption edge of Am$$_{2}$$O$$_{3}$$ and AmO$$_{2}$$ were good agreement with the crystallographic data from X-ray diffraction analysis. In order to characterize XANES in aspect of the electronic states, the theoretical assignments for the Am$$_{2}$$O$$_{3}$$ and AmO$$_{2}$$ were performed with the all-electron full potential linearized augmented plane wave (FP-LAPW) method. The theoretical XANES spectra of Am$$_{2}$$O$$_{3}$$ and AmO$$_{2}$$ well reproduced the experimental ones. In addition, it was found that the white line peak was created due to the interaction between Am-d and O-p components, and the broad peak and the tail peak were created due to the interaction between Am-d and O-d component.

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パーセンタイル:9.11

分野:Materials Science, Multidisciplinary

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