Role of electronic correlations in room-temperature ferromagnetism of monolayer MnSe2

The electronic structure of a two-dimensional ferromagneticMnSe2 monolayer was investigated using density functional theory. It was found that the computed Curie temperature (TC), which is fairly high but lower than room temperature, is sensitive to the on-site Coulomb repulsion U, indicating that electronic correlations have an important role in the magnetism exhibited in the system. The primary exchange mechanism responsible for the large TC of monolayer MnSe2 was also clarified. Furthermore, it was demonstrated that the TC can be enhanced up to nearly room temperature through charge doping and heterostructure engineering. These findings not only provide a fundamental understanding of the mechanism of magnetic ordering in MnSe2 monolayers, but also suggest a practical remedy for the enhancement of the TC of MnSe2 by using various substrates, including Dirac materials.

Automated summary

This study investigated the electronic structure and magnetism of a two-dimensional ferromagnetic MnSe2 monolayer using density functional theory, revealing the important role of electronic correlations in the system. The primary exchange mechanism responsible for the high TC of MnSe2 monolayer was clarified, and methods to enhance TC were suggested through charge doping and heterostructure engineering.