Thermodynamics of SmCo5 compound doped with Fe and Ni: An ab initio study

Highlights: • We study SmFe₃CoNi magnet with much larger magnetic moment than the SmCo₅ prototype. • We study the role of Ni is stabilization of SmFe₃CoNi magnet. • We prove that antiparallel spins of Sm and TM is the stable state for SmCo₅ magnet. • We present estimation of the maximum energy product of SmFe₃CoNi magnet. SmCo₅ permanent magnets exhibit enormous uniaxial magnetocrystalline anisotropy energy and have a high Curie temperature. However, their low energy product is a significant deficiency. To increase the energy product in SmCo₅, we propose substituting cobalt with iron, that has a much larger magnetic moment, in a SmCoNiFe₃ magnet where nickel is used as a thermodynamic stabilizer.