Giant enhancement of perpendicular magnetic anisotropy and Curie temperature in BiTeI/MnSe2 heterostructures

We study the magnetic properties of the monolayer MnSe2 and the bilayer BiTeI/MnSe2 heterostructures using the first-principles calculations. Results show that the monolayer MnSe2 is a half-metal ferromagnet with room Curie temperature and in-plane magnetic anisotropy. The magnetic anisotropy energy originates mainly from the Se atoms. Introduction of strain, especially interlayer coupling in BiTeI/MnSe2 heterostructures make the easy-magnetization direction rotate from in-plane to out-of plane and give rise to a substantial perpendicular magnetic anisotropy. In addition, the exchange interactions are enhanced, and a strong Dzyaloshinskii-Moriya interaction is introduced in the BiTeI/MnSe2 heterostructures, which promotes the Curie temperature significantly. The findings in this work provide a way to improve the magnetic properties of two-dimensional magnetic materials and point to the application of the monolayer MnSe2.