CMI researchers at Ames Laboratory conducted the research for this CMI highlight
Thorough review of state-of-the-art first principles predictions of hard magnetic properties of the technologically important RE-TM5 permanent magnet materials
Significance and impact
- Compilation of predicted properties allows to find new spaces for site substitution engineering and discover improved magnets.
- Elucidation of different ab-initio methods to describe the electronic structure of RE-TM5 compounds : One method does not describe all materials!
Details and next steps
Electronic structure calculations focusing on interstitial, substitutions in 1:5 structure will be carried out to improve the hard magnetic performance.