Ab initio study of electronic and magnetic properties of zigzag and armchair AlN nanosheets

Between the ferromagnetic semiconductors of the III-V group, the transition metals (TMs) doped aluminum nitride (Al, TM)N diluted magnetic semiconductor (DMS) is the most well understood and promising applications in spintronic, due to its high Curie temperature. In this research, electronic and magnetic properties of pure armchair (4, 4) and zigzag (6,0) aluminum nitride Nanosheets (AlNNS) and doped with transition metals are investigated using the spin-polarized density functional theory. The spin-polarized DOS revealed that pure AlNNS is a nonmagnetic semiconductor with a direct bandgap, while transition metals doped AlNNS are DMS or Half Metals (HM). Our results show a high Curie temperature more than 2000 K for Cu, Cr and Mn doping, indicating may be good room-temperature ferromagnetic material for spintronic applications in the future. 4.16% V and Ni atoms and 8.33% of Mn atoms doped AlNNS are HM with 100% spin polarization and appear to be good candidates for spintronic applications and especially as spin filter devices.