Electronic structure and magnetic properties of 3d transition-metal atom adsorbed SnO monolayers

Abstract

Monolayer SnO has attracted extensive attention due to the unique electronic properties, which have potential applications in nanoelectronic and optoelectronic devices. Transition metal (TM) atoms are often used to modulate electronic structures and magnetic properties of two dimensional (2D) materials, which can facilitate the application of these materials in spintronic devices. The electronic structure and magnetic characteristics of 3d TM (TM = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu and Zn) adsorbed SnO monolayer are predicted by first-principle calculations. The n-type doping in the SnO monolayer appears when Sc, Ti, V, Cr, Mn, Fe and Zn atoms are adsorbed. Co, Ni and Cu adsorptions induce the p-type doping in the SnO monolayer. In addition, the magnetic moments of SnO in the adsorption systems are in the range from −0.038 to 0.414 μB, and that reach the maximum at the case of Ni-absorbed. It is also found that Fe, Co and Ni adsorbed SnO monolayers have a perpendicular magnetic anisotropy (PMA), while Ti, V, Cr and Mn adsorbed SnO monolayers have an in-plane magnetic anisotropy (IMA). Our results indicate that TM adsorbed SnO monolayers have the potential applications in spintronic devices.