Magnetic coupling in nonmagnetic metal adsorption on arsenene monolayer: Ab initio study

The structural, electronic and magnetic properties of adsorbed arsenene monolayer with a series of nonmagnetic metal atoms, including Al, Ga, Li, Mg, and Na, are systematically investigated using first-principles calculations. From our calculations, nonmagnetic states appear in the cases of Li, Mg, and Na. The magnetism has been observed for Al and Ga adatoms. Then, we study the magnetic interaction between the moments induced by Al and Ga adatoms. It is found that a p–d exchange-like p-p hybridization results in the ferromagnetic (FM) state. However, when the distance of Ga-Ga or Al-Al is increased, it is found out that the FM interaction has been extremely depressed. This phenomenon can be explained by a simple Heisenberg model. The X-adsorbed (X= Al and Ga) arsenene systems are promising candidates for spintronic devices in the future.