Tunable Magnetic Properties of Fluorinated Two-dimensional Tetra-MoN2

Abstract So far the Tetra-MoN2 has been reported as the most stable structure of MoN2, which is a nonmagnetic semiconductor with an indirect band gap. With fluorine atoms adsorbed on the surface, the fluorinated Tetra-MoN2 (F-Tetra-MoN2) exhibits rich magnetic behaviors mediated by the polarized p electron of N and induced by small strains and low-concentration charge doping. Coverage or distance of F adsorbates also causes dramatic change of the magnetic properties. F adsorbates trend to aggregation which induces stronger spin polarization in F-Tetra-MoN2. These results suggest an efficient route to tune the magnetic properties of fluorinated Tetra-MoN2.