| Автор | W H Xie |
| Автор | D S Xue |
| Автор | F S Li |
| Дата выпуска | 2000-10-23 |
| dc.description | The electronic structure and magnetic properties of cubic iron nitrides FeN with NaCl- and ZnS-type structures have been calculated by employing a first-principle full-potential linearized muffin-tin orbital method. The results show that the local Fe-N octahedral coordination with a centred nitrogen atom is an advantageous one with which to exhibit a large exchange splitting. Meanwhile, the local Fe-N tetrahedral coordination produces a non-magnetic phase, the ZnS-type structure. A super-exchange interaction can reasonably explain the magnetism of the FeN nitrides. In comparison with other Fe-N compounds, we find a linear dependence of the magnetic moment of iron atoms with the volume, which corresponds to the octahedral coordination. Furthermore, a magnetic moment instability is presented in the NaCl-type structure. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | Local coordination influence on the magnetic properties of iron nitride |
| Тип | paper |
| DOI | 10.1088/0953-8984/12/42/311 |
| Electronic ISSN | 1361-648X |
| Print ISSN | 0953-8984 |
| Журнал | Journal of Physics: Condensed Matter |
| Том | 12 |
| Первая страница | 9061 |
| Последняя страница | 9068 |
| Аффилиация | W H Xie; Ministry of Education Key Laboratory of Magnetism and Magnetic Material, Lanzhou University, 730000, People's Republic of China |
| Аффилиация | D S Xue; Ministry of Education Key Laboratory of Magnetism and Magnetic Material, Lanzhou University, 730000, People's Republic of China |
| Аффилиация | F S Li; Ministry of Education Key Laboratory of Magnetism and Magnetic Material, Lanzhou University, 730000, People's Republic of China |
| Выпуск | 42 |
