| Item type |
デフォルトアイテムタイプ_（フル）(1) |
| 公開日 |
2023-03-18 |
| タイトル |
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|
タイトル |
Electronic structure of lithium amide |
|
言語 |
en |
| 作成者 |
Kamakura, Nozomu
Takeda, Yukiharu
Saito, Yuji
Yamagami, Hiroshi
Tsubota, Masami
Paik, Biswajit
Ichikawa, Takayuki
Kojima, Yoshitsugu
Muro, Takayuki
Kato, Yukako
Kinoshita, Toyohiko
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| アクセス権 |
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アクセス権 |
open access |
|
アクセス権URI |
http://purl.org/coar/access_right/c_abf2 |
| 権利情報 |
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|
権利情報 |
Copyright (c) 2011 The American Physical Society |
| 主題 |
|
|
主題Scheme |
NDC |
|
主題 |
420 |
| 内容記述 |
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|
内容記述タイプ |
Other |
|
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. |
| 出版者 |
|
|
出版者 |
The American Physical Society |
| 言語 |
|
|
言語 |
eng |
| 資源タイプ |
|
|
資源タイプ識別子 |
http://purl.org/coar/resource_type/c_6501 |
|
資源タイプ |
journal article |
| 出版タイプ |
|
|
出版タイプ |
VoR |
|
出版タイプResource |
http://purl.org/coar/version/c_970fb48d4fbd8a85 |
| 関連情報 |
|
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|
識別子タイプ |
DOI |
|
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関連識別子 |
10.1103/PhysRevB.83.033103 |
| 関連情報 |
|
|
|
識別子タイプ |
DOI |
|
|
関連識別子 |
http://dx.doi.org/10.1103/PhysRevB.83.033103 |
| 収録物識別子 |
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収録物識別子タイプ |
ISSN |
|
収録物識別子 |
1098-0121 |
| 収録物識別子 |
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|
収録物識別子タイプ |
NCID |
|
収録物識別子 |
AA11187113 |
| 開始ページ |
|
|
開始ページ |
033103-1 |
| 書誌情報 |
Physical Review B
Physical Review B
巻 83,
号 3,
p. 033103-1-033103-4,
発行日 2011-01-10
|
| 旧ID |
31974 |
PhysRevB_83_033103.pdf (487.2 KB)
