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ID 31974
file
creator
Kamakura, Nozomu
Takeda, Yukiharu
Saito, Yuji
Yamagami, Hiroshi
Tsubota, Masami
Paik, Biswajit
Muro, Takayuki
Kato, Yukako
Kinoshita, Toyohiko
NDC
Physics
description
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.
journal title
Physical Review B
volume
Volume 83
issue
Issue 3
start page
033103-1
end page
033103-4
date of issued
2011-01-10
publisher
The American Physical Society
issn
1098-0121
ncid
publisher doi
language
eng
nii type
Journal Article
HU type
Journal Articles
DCMI type
text
format
application/pdf
text version
publisher
rights
Copyright (c) 2011 The American Physical Society
relation url
department
Institute for Advanced Materials Research



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