Ferromagnetism in Mn doped half-Heusler NiTiSn: Theory and experiment

In this letter, the authors show by ab initio density functional calculations and experiments that Mn doped semiconducting half-Heusler compound NiTiSn can exhibit room-temperature ferromagnetism. Curie temperatures were calculated by Monte Carlo simulations using calculated Heisenberg exchange parameters in an ab initio Green’s function approach. The calculated temperature exceeds room temperature for a Mn doping concentration of 22%. Magnetic measurements confirm the presence of possible intrinsic ferromagnetism in these systems. This brings up the possibility of considering this system as a potential candidate for use in room-temperature spintronic devices.