New playground materials: Magnetic nitrides Perovskites

We propose a novel class of materials: stable nitrides with a perovskite-type structure and magnetic rare-earth metals. These materials are thermodynamically stable and, despite possessing the different atomic environments, retain the magnetic moment of their guest, the rare-earth metal. 

We find both magnetic metals and insulators, with a variable range of magnetic moments and some systems posses record-high magnetic anisotropy energies. Further tuning of the electronic and magnetic properties can also be expected by doping with other rare-earths or by creating solid solutions. The synthesis of these fascinating materials with novel compositions would extend the accepted stability domain of perovskites. This work is published in the newly open-access Journal of Physics: Materials (JPhys Materials, from IOP Science).

The calculated saturation magnetization per guest rare earth metal in a nitride-Perovskite structure.