First-principles calculations were used to investigate the spin-polarization of vacancy defects in SiC monolayers. It was shown that Si and C vacancy defects played differing roles in the magnetism of SiC monolayers. Local magnetic moments could be induced by the presence of a Si vacancy whereas no spin-polarization occurred in C vacancy defects. The induced states were due to the unpaired electrons on carbon atoms surrounding the silicon vacancy. Interestingly, starting from different initial spin distributions, two spin configurations with S = 1and 2 were obtained, and the energy difference between them was only 39meV. The spatial distribution of spin density exhibited the features of ferrimagnetic alignments for the most stable configuration.

Neutral Vacancy-Defect-Induced Magnetism in SiC Monolayer. X.He, T.He, Z.Wang, M.Zhao: Physica E, 2010, 42[9], 2451-4