Prediction of a Heusler alloy with switchable metal-to-half-metal behavior

We propose a ferromagnetic Heusler alloy that can switch between metal and half-metal. This effect provide tunable spintronics properties. Using the density functional theory with reliable implementations of electron correlation effects, we find ${\mathrm{Mn}}_{2}\mathrm{ScSi}$ total energy curves consisting distinct branches very small difference. The phase at low lattice crystal volume is magnetic half-metallic state while high metallic state. suggest transition states be triggered by triaxial contraction/expansion or an external field if assume cubic remains under expansion/contraction. However, also undergo austenite-martensite because presence Jahn-Teller active $3d$ electrons on Mn atoms.