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

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. •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.