Journal
JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM
Volume 31, Issue 10, Pages 3277-3282Publisher
SPRINGER
DOI: 10.1007/s10948-018-4589-8
Keywords
2D-SiC; Nonmagnetic metal; Long-range FM interaction; DFT calculations
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Funding
- Supercomputer Center of ECNU
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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.
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