Theoretical Study of New Magnetic Heterostructures WX2/CFGG (X = S, Se, Te)

Abstract

The development of spintronics, a key field of modern materials science, requires the search for new materials and their combinations for the effective control of spin transport. We report a theoretical study of new magnetic heterostructures based on the Co₂FeGe_1/2Ga_1/2 half-metallic Heusler compound (CFGG) and monolayers of tungsten dichalcogenides WX₂ (X = S, Se, Te). Structural, magnetic, and electronic properties of the WX₂/CFGG interface are analyzed by the DFT method for both Co- and FeGeGa-terminations of the substrate. The obtained results demonstrate stable ferromagnetism in the CFGG substrate, high level of spin polarization, and the increase of local magnetic moments at the interface. For example, the obtained tunneling magnetoresistance values are as high as 112% and 157% for Co-terminated WS₂/CFGG and WSe₂/CFGG, respectively. These results indicate that WX₂/CFGG based magnetic heterostructures are highly promising as a base for spin filters and other spin devices.