On Structural and Magnetic Properties of Substituted SmCo5 Materials

SmCo5 is a well-established material in the permanent magnet industry, a sector which constantly gains market share due to increasing demand but also suffers from criticality of some raw materials. In this work we study the possibility of replacement of Sm with other, more abundant rare earth atoms like Ce-La. These raw materials are usually called "free" rare-earth minerals, appearing as a by-product during mining and processing of other raw materials. Samples with nominal stoichiometry Sm1-xMMxCo5 (x = 0.1-1.0) were prepared in bulk form with conventional metallurgy techniques and their basic structural and magnetic properties were examined. The materials retain the hexagonal CaCu5-type structure while minor fluctuations in unit cell parameters as observed with X-ray diffraction. Incorporation of Ce-La degrade intrinsic magnetic properties, Curie temperature drops from 920 K to 800 K across the series and mass magnetization from 98 Am-2/kg to 60 Am-2/kg; effects which trade off for the significantly reduced price. Atomistic simulations, implemented based on Density Functional Theory calculations are used in the case of the stoichiometry with x = 0.5 to calculate atomic magnetic moments and provide additional insight in the complex interactions that dominate the magnetic properties of the material.