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ID 31974
本文ファイル
著者
Kamakura, Nozomu
Takeda, Yukiharu
Saito, Yuji
Yamagami, Hiroshi
Tsubota, Masami
Paik, Biswajit
Muro, Takayuki
Kato, Yukako
Kinoshita, Toyohiko
NDC
物理学
内容記述
The electronic structure of the insulator lithium amide (LiNH_2), which is a lightweight complex hydride being considered as a high-capacity hydrogen storage material, is investigated by N 1s soft x-ray emission spectroscopy (XES) and absorption spectroscopy (XAS). The XES and XAS spectra show a band gap between the valence and conduction bands. The valence band in the XES spectrum consists of three peaks, which extend up to ~-8 eV from the valence band top. The band calculation within the local-density approximation (LDA) for LiNH_2shows energetically separated three peaks in the occupied N 2p partial density of states (pDOS) and the band gap. The energy distribution of three peaks in the XES spectrum agrees with that in the calculated pDOS except for the peak at the highest binding energy, which is attributed to the strongly hybridized state between N 2p and H 1s. The XES experiment has clarified that the strongly hybridized state with H 1s in LiNH_2is located at binding energy higher than that of the LDA calculation, while the overall feature of the electronic structure of LiNH_2experimentally obtained by XES and XAS is consistent with the calculated result.
掲載誌名
Physical Review B
83巻
3号
開始ページ
033103-1
終了ページ
033103-4
出版年月日
2011-01-10
出版者
The American Physical Society
ISSN
1098-0121
NCID
出版者DOI
言語
英語
NII資源タイプ
学術雑誌論文
広大資料タイプ
学術雑誌論文
DCMIタイプ
text
フォーマット
application/pdf
著者版フラグ
publisher
権利情報
Copyright (c) 2011 The American Physical Society
関連情報URL
部局名
先進機能物質研究センター



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