Density functional theory analysis of symmetry-filtering scandium nitride magnetoresistive junctions

Magnetic tunnel junctions (MTJs) show great promise for implementation in high-performance STT-MRAM and novel computing regimes such as magnetic logic and neuromorphic computing. However, a handful of material setbacks stand in the way of the adoption of leading MgO MTJs over other emerging technologies, such as Resistive-RAM junctions, in next-generation architectures. Here, we explore the properties of iron / scandium nitride (ScN) magnetoresistive junctions using density functional theory (DFT) and find ScN a promising barrier material given its novel electron symmetry filtering properties, high TMR, and low RA-product. Magnetoresistance ratios exceeding 1900% are enabled by Δ2’ symmetry filtering through the barrier, in addition to the traditional Δ1 symmetries observed in MgO MTJs. The electronic properties of the diffusive Fe/ScN interface are resolved, with predicted half-metallicity that could amplify MR in realistic low-power ScN devices.