Two-dimensional stable Mn based half metal and antiferromagnets promising for spintronics.

ABSTRACT

In this paper, we predict that the tetragonal MnSi and MnC0.5Si0.5 monolayers are mechanically stable metallic ferromagnetic materials. The thermal stability of the MnC0.5Si0.5 monolayer is verified by our ab initio molecular dynamics (AIMD) result at 300 K. Both MnSi and MnC0.5Si0.5 monolayers exhibit room temperature half-metallic properties, which is very promising for spintronic applications. Both monolayers exhibit large perpendicular magnetic anisotropy, which is desirable for maintaining magnetic order and for high density storage spintronics. A bilayer of the MnSi nanosheet has obviously enhanced thermal stability and exhibits antiferromagnetic metal properties. The Néel temperature could be effectively manipulated and improved by surface functionalization. In addition, monolayer and bilayer MnSi nanosheets exhibit nodal lines in the reciprocal space, and the nodal lines are robust against spin orbit coupling.