Magnetic and Mechanical Properties of Deformed Iron Nitride γ′-Fe4N
| Autor: | Chin-Hsiang Cheng, Minh-Tien Nguyen, Tzong-Shyng Leu, I-Ling Chang, Ming-Liang Liao, Sergey V. Panin, Alexey V. Panin |
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| Jazyk: | angličtina |
| Rok vydání: | 2015 |
| Předmět: | |
| Zdroj: | Journal of Applied Mathematics, Vol 2015 (2015) |
| Druh dokumentu: | article |
| ISSN: | 1110-757X 1687-0042 |
| DOI: | 10.1155/2015/238730 |
| Popis: | The present study is aimed at magnetic and mechanical properties of iron nitride (γ′-Fe4N) with elastic deformation. Electronic structure and thermal properties of the iron nitride are also studied to have a comprehensive understanding of the characteristics of γ′-Fe4N. This study is focused on the variation of the magnetic and the mechanical properties of iron nitride with a change in crystal size represented by lattice constant. As the lattice constant is altered with deformation, magnetic moment of Fe-II atoms is appreciably elevated, while that of Fe-I atoms is nearly unchanged. Dependence of the magnetic moment and the bulk modulus on the lattice constant is examined. Meanwhile, chemical bonds between Fe atoms and N atoms formed across the crystal have been visualized by delocalization of atomic charge density in electron density map, and thermodynamic properties, including entropy, enthalpy, free energy, and heat capacity, are evaluated. |
| Databáze: | Directory of Open Access Journals |
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