First-principles investigation on the elastic, magnetic and electronic properties of MFe3N (M = Fe, Ru, Os)
文献类型：期刊论文
| 作者 | Zhao E ; Xiang HP ; Meng J ; Wu ZJ |
| 刊名 | chemical physics letters
 |
| 出版日期 | 2007 |
| 卷号 | 449期号:1-3页码:96-100 |
| 关键词 | IRON NITRIDES GAMMA'-FE4N CRYSTAL RHFE3N FE16N2 MN4N |
| ISSN号 | 0009-2614 |
| 通讯作者 | wu zj |
| 中文摘要 | the elastic, magnetic and electronic properties of mfe3n (m = fe, ru, os) are investigated via first-principles calculations. the calculated results are in agreement with the experimental and other theoretical data. the high ratios of bulk modulus to shear modulus 2.7, 2.0, and 1.8 for gamma'-fe4n, rufe3n, and osfe3n, respectively, indicate that they have good ductility. gamma'-fe4n possesses the largest b/c-44 (3.41) ratio, which suggests that it is much prone to shearing. the net magnetic moment per formula unit decreases from 9.90 for gamma'-fe4n, 7.66 for rufe3n, to 6.80 mu(b) for osfe3n. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000251575300019 |
| 公开日期 | 2010-07-13 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/13361]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Zhao E,Xiang HP,Meng J,et al. First-principles investigation on the elastic, magnetic and electronic properties of MFe3N (M = Fe, Ru, Os)[J]. chemical physics letters,2007,449(1-3):96-100. |
| APA | Zhao E,Xiang HP,Meng J,&Wu ZJ.(2007).First-principles investigation on the elastic, magnetic and electronic properties of MFe3N (M = Fe, Ru, Os).chemical physics letters,449(1-3),96-100. |
| MLA | Zhao E,et al."First-principles investigation on the elastic, magnetic and electronic properties of MFe3N (M = Fe, Ru, Os)".chemical physics letters 449.1-3(2007):96-100. |
入库方式： OAI收割
来源：长春应用化学研究所
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