Mn absorbed on the surface of the monolayer of GeSe Sheet

In this paper, we, based on the density function theory (DFT), study the structural, electronic and magnetic properties of the monolayer of GeSe sheet by absorbing two Mn atoms in different hollow sites of this sheet. A series variety of magnetic moments have been found with the change of distance between two Mn atoms absorbed at different hollow sites in ferromagnetic(FM) and anti-ferromagnetic(AFM) states. There is a stable magnetic moment, 2u B, in HS3 structure in FM and AFM states. The analysis of spin-resolved electronic structure reveals there exists a long range exchange interaction and zener's double exchange interaction between the two Mn atoms. Finally, the mean field approximation is employed to estimate Curie temperature by different absorbing strategies. The finding reveals that absorbing strategies changes would lead to varied Curie temperature 0k, 7K and 117K.