Electronic structure, magnetoresistance and spin filtering in graphene|2 monolayer-CrI3₃|graphene van der Waals magnetic tunnel junctions.

ABSTRACT: In the pursuit of designing van der Waals magnetic tunneling junctions (vdW-MTJs) with two-dimensional (2D) intrinsic magnets, as well as to quantitatively reveal the microscopic nature governing the vertical tunneling pathways beyond the phenomenological descriptions on CrI₃-based vdW-MTJs, we investigate the structural configuration, electronic structure and spin-polarized quantum transport of graphene|2 monolayer(2ML)-CrI₃|graphene heterostructure with Ag(111) layers as the electrode, using density functional theory (DFT) and its combination of non-equilibrium Green's function (DFT-NEGF) methods. The in-plane lattice of CrI₃ layers is found to be stretched when placed on the graphene (Gr) layer, and the layer-stacking does not show any site selectivity.

SUBMITTER: Zhang Y 

PROVIDER: S-EPMC9536253 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature