The half-metallic properties of Heusler alloys Mn-=SUB=-2-=/SUB=-ScZ (Z=Al, Si, P, Ga, Ge, As, In, Sn, Sb): ab initio study

The properties of Heusler alloys the Mn 2 ScZ family (Z=Al, Si, P, Ga, Ge, As, In, Sn, Sb) are investigated within framework density functional theory. PBE GGA and meta-GGA SCAN functionals were used for approximation exchange-correlation interactions. Calculations show that does not predict ideal half-metallic behavior, unlike SCAN. It is shown at Z=P, a transition from state to metallic one observed. This effect can be develop tunable spintronic devices. Keywords: functional, SCAN, half-metal ferromagnets, alloys.