Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7225128 | Optik - International Journal for Light and Electron Optics | 2018 | 6 Pages |
Abstract
Magnetic properties of nonmetals doped h-BN monolayer are studied by the first-principles methods. Different dopants (C, Cl, F, and O) and doping sites are considered. Similar as transition metal (TM) atoms, magnetic behavior appears in C-, F-, and O-doped system. In addition, according to the calculated binding energies, the C-doped system has the most stable formed system among above three magnetic materials. Hence, we study the ferromagnetic interaction in two C doped BN monolayer. Interestingly, as the increasing C-C distance, the interaction between two C dopants switches from antiferromagnetic (AFM) to ferromagnetic (FM). Our results show that the FM interaction originates from a p-d exchange-like p-p coupling interaction.
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Authors
M. Luo, H.H. Yin, Y.H. Shen,