Magnetic analysis of Heusler / III-V semiconductor interfaces using density functional theory

Heusler compounds are of high interest due to their half-metallic, superconducting or topological properties. Here we use a PBE+U approach in density functional theory to investigate the interfacial properties of X2MnIn (X=Ni,Ti) magnetic Heusler compounds with lattice-matched high-spin-orbit coupling III-V semiconductors (InAs, InSb) that have attracted interest, for example, as potential platforms for Majorana modes. We first show a convincing lack of induced moment in the semiconductor, which suggests proximity-induced magnetic exchange correlations are unlikely to arise in these interfaces. We then analyze the interfaces in the context of their suitability for injecting high spin polarizations through layer-resolved polarization and band projection analyses.