Abstract
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.
Highlights
During these years, the scientists pay much attention to the two-dimensional (2D) materials because of their novel functions
In contrast to the magnetism induced by transition metal (TM) atoms, the magnetic moment based on nonmetal atoms sometimes has much stronger long-range magnetic interactions.[14,15,16]
With the purpose of checking the stability of each case, adsorption energies are calculated, which is estimated as Eads = ET-EP-ETM, where EP and ET is the total energy of perfect and nonmagnetic metal atom adsorbed arsenene, respectively; ETM is the energy of a nonmagnetic metal
Summary
The scientists pay much attention to the two-dimensional (2D) materials because of their novel functions. As is known to all, it has been verified that by doping transition metal (TM) atoms into 2D materials at a low concentration could tune the electronic properties obviously and induce magnetism, scattering and superconduction.[10] In addition, another effective and promising method to modify the magnetic and electronic properties is adsorption. According to the latest studies on graphene, blue phosphorene and MoS2, by using surface adsorption method, we could tune magnetic properties of 2D materials.[11,12,13] In contrast to the magnetism induced by TM atoms, the magnetic moment based on nonmetal atoms sometimes has much stronger long-range magnetic interactions.[14,15,16] Recently, a new elemental 2D material has been discovered based on theoretical studies,[17,18] namely grey arsenic, which is the structural counterpart of blue phosphorus. To our knowledge, less interest has been gained to the magnetic properties of nonmagnetic metal elements absorbed arsenene
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