Thermodynamics and Magnetism of SmFe12 Compound Doped with Co and Ni: An Ab Initio Study

Ni-doped Sm(Fe1-xCox)(12) alloys are investigated for their magnetic properties. The Sm(Fe,Co)(11)M-1 compound (M acts as a stabilizer) with the smallest (7.7 at.%) rare-earth-metal content has been recognized as a possible contender for highly efficient permanent magnets thanks to its significant anisotropy field and Curie temperature. The early transition metals (Ti-Mn) as well as Al, Si, and Ga stabilize the SmFe12 compound but significantly decrease its saturation magnetization. To keep the saturation magnetization in the range of 1.4-1.6 T, we suggest replacing a certain amount of Fe and Co in the Sm(Fe1-xCox)(12) alloys with Ni. Ni plays the role of a thermodynamic stabilizer, and contrary to the above-listed elements, has the spin moment aligned parallel to the spin moment of the SmFe12 compound, thereby boosting its saturation magnetization without affecting the anisotropy field or Curie temperature.