Electronic Band Structure Matching for Half- and Full-Heusler Alloys

We explore the lattice and the electronic band structures matching between the half-metallic Heusler alloys (half-Heusler NiMnSb and full-Heusler Co2MnSi) and several hypothetical non-magnetic Heusler alloys by using first principle calculations. The lattice and band structure matching are almost perfectly satisfied between the two materials of similar crystal structures: (i) NiMnSb and XYSb and (ii) Co2MnSi and X2YSi, where X, Y=Ni or Cu. Owing to the high interface spin scattering asymmetry, these materials are promising to realize a high giant magnetoresistance at room temperature.