Triple VTe2/graphene/VTe2 heterostructures as perspective magnetic tunnel junctions

[Display omitted] •Nanoscale vertical heterostructures based on graphene and 2D VTe2 were proposed.•Calculated TMR ratio for the favorable threelayer heterostructure is 220%.•T-VTe2 monolayer in bilayer T-VTe2/graphene is 100% spin-polarized.•The hole doping of graphene and the exchange splitting of the Dirac cone is revealed. New perspective 1.4 nm thick spin-polarized triple heterostructures based on graphene sandwiched between two vanadium ditelluride monolayers (VTe2/graphene/VTe2) were studied using ab initio DFT technique. Both possible trigonal prismatic (H-VTe2) and octahedral (T-VTe2) VTe2 phases were considered to design and study graphene-based heterostructures. It was shown that the interaction with graphene changes the electronic structure of 2D T-VTe2 from metallic to half-metallic, making T phase perspective to be used for magnetic tunnel junctions. The electronic subsystem of graphene fragment is slightly hole doped. Calculated tunnel magnetoresistance ratio for the favorable heterostructure configuration estimated within the Julliere model is 220%, which opens a way to use VTe2/graphene/VTe2 as prospective magnetic tunnel junction in novel spintronic nanodevices based on tunnel magnetic resistance and spin transfer torque effects.