Review article on rare earth magnets published

The PDOS of distinct 2c and 3g2 Co sites along the [100] and [001] directions for different electron density functionals. The shaded regions indicate the DOS for the in-plane [100] axis, whereas the solid lines indicate the DOS along the uniaxial [001] direction. The difference between these curves is an important contribution to magnetic anisotropy.
The PDOS of distinct 2c and 3g2 Co sites along the [100] and [001] directions for different electron density functionals. The shaded regions indicate the DOS for the in-plane [100] axis, whereas the solid lines indicate the DOS along the uniaxial [001] direction. The difference between these curves is an important contribution to magnetic anisotropy.

CMI researchers at Ames Laboratory conducted the research for this CMI highlight

Achievement
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.