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VOLUME 107 | ISSUE 3 | PAGE 172
Magnetic and electronic properties of h-BN nanosheets with nonmetal atoms adsorbed: a first-principles study
Abstract
Magnetic properties of the h-BN monolayer with nonmetal atoms are studied by the first-principles methods. Different dopants (C, Cl, F, and O) and doping sites are considered. Magnetic behavior is observed in the two-dimensional (2D) BN system with C, Cl, and O atoms. On the other hand, the O adsorbed system shows a more stable formed structure among above three magnetic materials, we study the ferromagnetic (FM) interaction in 2D-BN system with two O adatoms. Interestingly, as the increasing O-O distance, the interaction between two O adatoms prefers to a long-range FM coupling. This phenomenon could be well described by a simple Heisenberg model.