Electronic structure of lithium amide
Physical Review B Volume 83 Issue 3
Page 033103-1-033103-4
published_at 2011-01-10
アクセス数 : 1168 件
ダウンロード数 : 232 件
今月のアクセス数 : 3 件
今月のダウンロード数 : 0 件
この文献の参照には次のURLをご利用ください : https://ir.lib.hiroshima-u.ac.jp/00031974
File |
PhysRevB_83_033103.pdf
487 KB
種類 :
fulltext
|
Title ( eng ) |
Electronic structure of lithium amide
|
Creator |
Kamakura Nozomu
Takeda Yukiharu
Saito Yuji
Yamagami Hiroshi
Tsubota Masami
Paik Biswajit
Muro Takayuki
Kato Yukako
Kinoshita Toyohiko
|
Source Title |
Physical Review B
|
Volume | 83 |
Issue | 3 |
Start Page | 033103-1 |
End Page | 033103-4 |
Descriptions |
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.
|
NDC |
Physics [ 420 ]
|
Language |
eng
|
Resource Type | journal article |
Publisher |
The American Physical Society
|
Date of Issued | 2011-01-10 |
Rights |
Copyright (c) 2011 The American Physical Society
|
Publish Type | Version of Record |
Access Rights | open access |
Source Identifier |
[ISSN] 1098-0121
[DOI] 10.1103/PhysRevB.83.033103
[NCID] AA11187113
[DOI] http://dx.doi.org/10.1103/PhysRevB.83.033103
|