Spin transport through metal-dichalcogenides layers: A study from first-principles calculations.

Spin transport through monolayer and trilayers of molybdenum dichalcogenides were studied considering Co as leads. Detailed investigations of the electronic structure of the Co/MoS2interface and magnetic tri-junctions are carried out by using DFT calculations to understand transport behavior. The study revealed that new spin-polarized hybridized states appeared at the Fermi level due to the formation of the Co/MoS2interface that effectively acted as a spin filter and enhanced the spin injection efficiency of the systems. Spin-polarized current through the system as well as the magnetoresistance was estimated at different applied bias voltages. Large magnetoresistance up to 78% was calculated for the trilayer MoS2system at a relatively high applied bias voltage. The magnetoresistance (MR) values are further improved by tuning the structure of the scattering region. A very large magnetoresistance of 123 % for MoS2/MoSe2/MoS2trilayer at an applied bias 0.8 V was observed, which is much higher than the previously reported bias dependent MR values in similar systems.