Back to Search
Start Over
New structures of Fe3S for rare-earth-free permanent magnets
- Source :
- Journal of Physics D: Applied Physics. 51:075001
- Publication Year :
- 2018
- Publisher :
- IOP Publishing, 2018.
-
Abstract
- We applied an adaptive genetic algorithm (AGA) to search for low-energy crystal structures of Fe3S. A number of structures with energies lower than that of the experimentally reported Pnma and I-4 structures have been obtained from our AGA searches. These low-energy structures can be classified as layer-motif and column-motif structures. In the column-motif structures, Fe atoms self-assemble into rods with a bcc type of underlying lattice, which are separated by the holes terminated by S atoms. In the layer-motif structures, the bulk Fe is broken into slabs of several layers passivated by S atoms. Magnetic property calculations showed that the column-motif structures exhibit reasonably high uniaxial magnetic anisotropy. In addition, we examined the effect of Co doping to Fe3S and found that magnetic anisotropy can be enhanced through Co doping.
- Subjects :
- Materials science
Acoustics and Ultrasonics
Condensed matter physics
Doping
Rare earth
02 engineering and technology
Crystal structure
021001 nanoscience & nanotechnology
Condensed Matter Physics
01 natural sciences
Rod
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
Magnetic anisotropy
Lattice (order)
Magnet
0103 physical sciences
010306 general physics
0210 nano-technology
Subjects
Details
- ISSN :
- 13616463 and 00223727
- Volume :
- 51
- Database :
- OpenAIRE
- Journal :
- Journal of Physics D: Applied Physics
- Accession number :
- edsair.doi...........6c6a8183b6eb630cd4e4680f4704f072