permanent-magnets

The goal was a screen for Gd-based permanent magnets: a very high moment with a workable Curie temperature. The earlier premise check

Our public routes stop at intrinsic properties. The MAE route gives anisotropy energy, the Curie route gives Tc, and the leaderboard scores candidates on those. Nothing on the platform yet turns a candidate's saturation magnetization, anisotropy and exchange into a predicted coercivity, remanence or energy product. That gap sits right between our screening and anything a magnet maker would call a magnet.

https://lnkd.in/p/e-y_AhSe @mmoderwell

Every magnetic atom is a tiny bar magnet. Whether a crystal full of them makes a useful magnet depends on how neighbouring atoms line up. There are three common patterns, and you can rotate a real example of each below.

The gadolinium post

Magnetic anisotropy energy on Ouro DFT (ABACUS)

Ouro DFT (ABACUS) could run rare-earth structures, and the runs converged. They were also wrong. This post covers how we found that, why no off-the-shelf fix existed, what it took to build one, and where rare-earth DFT on Ouro stands now. Gadolinium is done. Neodymium and samarium are in progress.

The symptom

While following up the gadolinium literature check