WEKO3
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Synthetic ferromagnetic nitrides: First-principles calculations of CaN and SrN
http://hdl.handle.net/10112/2205
http://hdl.handle.net/10112/2205a7712374-eac9-4ff1-8753-ee692f171883
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
KU-1100PRB-20070820-166.pdf (132.2 kB)
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| Item type | 学術雑誌論文 / Journal Article(1) | |||||
|---|---|---|---|---|---|---|
| 公開日 | 2010-07-16 | |||||
| タイトル | ||||||
| タイトル | Synthetic ferromagnetic nitrides: First-principles calculations of CaN and SrN | |||||
| 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 | |||||
| 著者 |
Suzuki, Naoshi
× Suzuki, Naoshi× Geshi, Masaaki× Kusakabe, Kouichi× Nagara, Hitose |
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| 著者別名 | ||||||
| 識別子Scheme | WEKO | |||||
| 識別子 | 24177 | |||||
| 姓名 | 下司, 雅章 | |||||
| 著者別名 | ||||||
| 識別子Scheme | WEKO | |||||
| 識別子 | 24178 | |||||
| 姓名 | 草部, 浩一 | |||||
| 著者別名 | ||||||
| 識別子Scheme | WEKO | |||||
| 識別子 | 24179 | |||||
| 姓名 | 長柄, 一誠 | |||||
| 著者別名 | ||||||
| 識別子Scheme | WEKO | |||||
| 識別子 | 24180 | |||||
| 姓名 | 鈴木, 直 | |||||
| 概要 | ||||||
| 内容記述タイプ | Other | |||||
| 内容記述 | Encouraged by recent experimental facts of synthesizing materials which do not exist in nature, we introduce a type of ferromagnets, CaN and SrN, which have been proposed by first-principles calculations. These are half-metallic ferromagnets and they have magnetic moments of 1μB per chemical formula unit. Out of typical structures of binary compounds we have calculated, the rocksalt structure is the most stable form for both CaN and SrN. The majority of the magnetic moment of these compounds originates from the nitrogen sites since the p states of nitrogen are spin polarized. The mechanism of the ferromagnetism is discussed. Their formation energies have been calculated and the results show that it should be feasible to synthesize these materials. The structural stability of CaN has been confirmed by performing first-principles molecular dynamics simulations. We propose a synthesis process for CaN using the high pressure and temperature environment. | |||||
| 書誌情報 |
PHYSICAL REVIEW B 巻 76, 号 5, p. 054433-1-054433-5, 発行日 2007-08-20 |
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| ISSN | ||||||
| 収録物識別子タイプ | ISSN | |||||
| 収録物識別子 | 24699950 | |||||
| ISSN | ||||||
| 収録物識別子タイプ | ISSN | |||||
| 収録物識別子 | 24699969 | |||||
| DOI | ||||||
| 関連タイプ | isIdenticalTo | |||||
| 識別子タイプ | DOI | |||||
| 関連識別子 | 10.1103/PhysRevB.76.054433 | |||||
| 権利 | ||||||
| 権利情報 | (C) 2007 The American Physical Society | |||||
| 著者版フラグ | ||||||
| 出版タイプ | VoR | |||||
| 出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||
| 出版者 | ||||||
| 出版者 | American Physical Society | |||||
