| CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY |
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Structural and Thermodynamic Properties of M3W3N (M=Fe, Co, Ni) |
| CHEN Yi, SHEN Jiang, CHEN Nan-Xian |
| Institute of Applied Physics, University of Science and Technology Beijing, Beijing 100083 |
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| Cite this article: |
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CHEN Yi, SHEN Jiang, CHEN Nan-Xian 2009 Chin. Phys. Lett. 26 048101 |
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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.
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| Keywords:
81.05.Je
34.20.Cf
63.20.Dj
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Received: 15 April 2008
Published: 25 March 2009
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| PACS: |
81.05.Je
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(Ceramics and refractories (including borides, carbides, hydrides, nitrides, oxides, and silicides))
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34.20.Cf
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(Interatomic potentials and forces)
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63.20.Dj
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