| Structural and Thermodynamic Properties of M3W3N （M=Fe,Co, Ni） |
| |
| 引用本文： | 陈怡,申江,陈难先.Structural and Thermodynamic Properties of M3W3N （M=Fe,Co, Ni）[J].中国物理快报,2009,26(4):240-243. |
| |
| 作者姓名： | 陈怡 申江 陈难先 |
| |
| 作者单位： | Institute of Applied Physics, University of Science and Technology Beijing, Beijing 100083 |
| |
| 基金项目： | Supported by the National Basic Research Program of China under Grant No 2006CB605101. |
| |
| 摘 要： | Ternary transition metal nitrides, Fe3 W3N, Coa W3N, and Nia WaN~ are studied by the use of interatomic potentials acquired from lattice inversion. The study indicates that Fe3 WaN would be more stable than the other compounds in the family of intermetallic tungsten nitrides. The investigation of phonon density of states indi- cates that the lower frequency modes are mostly excited by the metal atoms, and the higher frequency modes are mostly excited by the nitrogen atoms. A qualitative analysis is carried out with the relevant potentials for the phase stability and vibrational modes.
|
| 关 键 词： | 热力学性质 过渡金属氮化物 结构 铁 晶格反演 金属原子 振动模式 低频率 |
| 收稿时间： | 2008-4-15 |
Structural and Thermodynamic Properties of M3W3N (M=Fe, Co, Ni) |
| |
| CHEN Yi,SHEN Jiang,CHEN Nan-Xian.Structural and Thermodynamic Properties of M3W3N (M=Fe, Co, Ni)[J].Chinese Physics Letters,2009,26(4):240-243. |
| |
| Authors: | CHEN Yi SHEN Jiang CHEN Nan-Xian |
| |
| Institution: | Institute of Applied Physics, University of Science and Technology Beijing, Beijing 100083 |
| |
| Abstract: | Ternary transition metal nitrides, Fe3W3N, Co3W3N, and Ni3W3N, are studied by the use of interatomic potentials acquired from lattice inversion. The study indicates that Fe3W3N would be more stable than the other compounds in the family of intermetallic tungsten nitrides. The investigation of phonon density of states indicates that the lower frequency modes are mostly excited by the metal atoms, and the higher frequency modes are mostly excited by the nitrogen atoms. A qualitative analysis is carried out with the relevant potentials for the phase stability and vibrational modes. |
| |
| Keywords: | 81 05 Je 34 20 Cf 63 20 Dj |
| 本文献已被 维普 等数据库收录！ |
| 点击此处可从《中国物理快报》浏览原始摘要信息 |
| 点击此处可从《中国物理快报》下载免费的PDF全文 |
|
