Magnetic Properties of SiC Monolayer with Different Nonmagnetic Metal Dopants
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Magnetic properties of nonmagnetic metal-doped SiC monolayer are studied by the first-principle methods. Different dopants (Al, Ga, Li, Mg, and Na) and doping sites are considered. Similar as transition metal (TM) atoms, magnetic behavior appears in Li-, Mg-, and Na-doped system. In addition, according to the calculated binding energies, the Mg-doped system is the most stable-formed system among the above three magnetic materials. Hence, we study the ferromagnetic interaction in two Mg-doped SiC monolayer. Interestingly, as the increasing Mg–Mg distance, the interaction between two Mg dopants prefers to a long-range FM coupling, which originates from a p-d exchange-like s-p coupling interaction.
Keywords2D-SiC Nonmagnetic metal Long-range FM interaction DFT calculations
We thank the Key Laboratory of Polar Materials and Devices, Ministry of Education, East China Normal University (ECNU).
Our work is supported by the Supercomputer Center of ECNU.