کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1800985 | 1024555 | 2010 | 5 صفحه PDF | دانلود رایگان |
Geometrical optimization of tetra-3d metal nitrides (Mn4N, Fe4N, Co4N, and Ni4N) has been performed and the relations of their energies (E) and their total magnetic moments (M) are obtained by plane-wave-basis density-functional calculations without any assumption of specific spin arrangement. The E vs. M relations obtained for Fe4N and Mn4N have a bimodal character. The ground state of Fe4N is a high-spin state, which would correspond to the ferromagnetic character, while that of Mn4N is a low-spin state, which would correspond to the observed ferrimagnetic character. Lattice constants and total magnetic moments of these tetra-3d metal nitrides are almost accurately predicted. From the spin-polarized densities of states curves, Co4N would have the largest spin polarization ratio of 0.88, which suggests Co4N can be a candidate material for ferromagnetic electrodes for spin-injection.
Journal: Journal of Magnetism and Magnetic Materials - Volume 322, Issue 18, September 2010, Pages 2665–2669