Abstract
Magnetic properties of the h-BN monolayer with nonmetal atoms adsorbed are studied by the first-principle methods. Different dopants (C, Cl, F, and O) and adsorption sites are considered. On one hand, magnetic behavior is observed in two-dimensional (2D) BN system with C, Cl, and O atoms and nonmagnetic state is shown in the F-adsorbed system. On the other hand, the F-adsorbed system shows a more stable formed structure among all the systems. Thus, we study the magnetic properties in F-adsorbed 2D-BN system under the applied tensile and compressive strain. Interestingly, as the strain increases, a maximum magnetic moment of 1.12 μ B is observed, which originates from the p-p hybridization among F, B, and N atoms. Our results suggest some potential applications of the F-adsorbed BN nanosheet.
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