Magnetocrystalline anisotropy in YCo5 and ZrCo5 compounds from first-principles real-space pseudopotentials calculations
Abstract
We investigate the magnetocrystalline anisotropy of YCo5 and ZrCo5 compounds from first-principles calculations using a real-space formalism of pseudopotentials. We study not only the experimentally observed phases but also other possible crystal structures in order to examine the impact of structural differences on the magnetic properties. Our results indicate that it may be difficult to enhance magnetocrystalline anisotropy constant K1 and saturation magnetization Ms simultaneously in YCo5 compounds in a hexagonal crystal family. We find that ZrCo5 compounds have moderate K1 and sufficient Ms, which can be much better than those of conventional ferrite magnets. We expect that ZrCo5 compounds, consisting of affordable elements, are promising rare-earth-free materials that will be useful for permanent magnet applications.
- Publication:
-
Physical Review Materials
- Pub Date:
- August 2018
- DOI:
- 10.1103/PhysRevMaterials.2.084410
- Bibcode:
- 2018PhRvM...2h4410S