Designing van der Waals magnetic tunnel junctions with high tunnel magnetoresistance via Brillouin zone filtering

Magnetic tunnel junctions (MTJs) consisting of two-dimensional (2D) van der Waals heterostructures have no inter-layer chemical bonds; therefore, their spin tunneling is determined solely by the Brillouin zone (BZ) filtering effect. To obtain high tunnel magnetoresistance (TMR), they should possess transversal momentum-resolved conduction channels for the electrodes and transmission channels for the barriers. Here, we investigate 2D magnets as electrodes whose Curie temperatures approach room temperature and also hexagonal 2D insulators as the barrier. Iron-based compounds such as FeGeTe₂ (x = 3 and 4) are calculated to have high transmission coefficients over the entire in-plane BZ for the majority spin channel, while this should only happen around Γ for the minority spin channel. Correspondingly, various 2H-type transition metal dichalcogenides (TMDs) are found to function effectively as spin barriers, where electrons are only allowed to tunnel through them around the K and M points. BZ spin filtering is confirmed to be the major mechanism of the TMR effect by the MTJ transport calculation using the non-equilibrium Green function method. Furthermore, the TMR is calculated to be nearly independent of the barrier layer thickness as the BZ filtering is an interfacial effect. This work sheds light on material selection procedures and designing ultra-thin and robust van der Waals MTJs.