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ヤマガミ ヒロシ
YAMAGAMI HIROSHI
山上 浩志 所属 京都産業大学 理学部 物理科学科 職種 教授 |
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| 言語種別 | 英語 |
| 発行・発表の年月 | 2011/01 |
| 形態種別 | 研究論文 |
| 査読 | 査読あり |
| 標題 | Electronic structure of lithium amide |
| 執筆形態 | その他 |
| 掲載誌名 | PHYSICAL REVIEW B |
| 出版社・発行元 | AMER PHYSICAL SOC |
| 巻・号・頁 | 83(3) |
| 著者・共著者 | N. Kamakura,Y. Takeda,Y. Saitoh,H. Yamagami,M. Tsubota,B. Paik,T. Ichikawa,Y. Kojima,T. Muro,Y. Kato,T. Kinoshita |
| 概要 | 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 similar to-8 eV from the valence band top. The band calculation within the local-density approximation (LDA) for LiNH(2)shows 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(2) is located at binding energy higher than that of the LDA calculation, while the overall feature of the electronic structure of LiNH(2) experimentally obtained by XES and XAS is consistent with the calculated result. |
| DOI | 10.1103/PhysRevB.83.033103 |
| ISSN | 1098-0121 |
| Put Code(ORCID) | 38214427 |
| PermalinkURL | http://www.scopus.com/inward/record.url?eid=2-s2.0-79551577826&partnerID=MN8TOARS |
| researchmap用URL | http://orcid.org/0000-0002-8030-0796 |