About this Abstract |
Meeting |
2021 TMS Annual Meeting & Exhibition
|
Symposium
|
Advanced Magnetic Materials for Energy and Power Conversion Applications
|
Presentation Title |
Effects of Lattice Distortions on Magnetic Properties of Fe16N2: First-principles Study |
Author(s) |
Yusuke Asari, Tomohiro Tabata, Shinya Tamura, Matachiro Komuro, Shohei Terada |
On-Site Speaker (Planned) |
Yusuke Asari |
Abstract Scope |
Fe16N2 phase is a promising magnetic material due to its high saturation magnetic flux density, but there have been no consensus among researchers regarding the mechanisms of the magnetism. Now we investigated the mechanisms of the magnetism of Fe16N2 by means of the first principles density functional theory within the generalized gradient approximation from a viewpoint of effects of change in the lattice volume on the saturation magnetic flux density. Our calculation shows that the saturation magnetic flux density is dependent on the unitcell volume. The change in the unitcell volume causes the change in the magnetic moments at the iron sites, because the magnetic moments depend on the interatomic distance between irons. |
Proceedings Inclusion? |
Planned: |