Neutral vacancy-defect-induced magnetism in SiC monolayer

作者：He, Xiujie; He, Tao; Wang, Zhenhai; Zhao, Mingwen^*

来源：Physica E: Low-Dimensional Systems and Nanostructures , 2010, 42(9): 2451-2454.

DOI：10.1016/j.physe.2010.06.010

• First-principle
• Electronic structure
• Monolayer
• Magnetism

We perform first-principles calculations to investigate the spin-polarization of vacancy defects in SiC monolayer. We show that Si and C vacancy defects play different roles in the magnetism of SiC monolayer. Local magnetic moments can be induced by the presence of Si vacancy (V(Si)) whereas no spin-polarization occurs in C vacancy (V(C)) defects. The induced states are due to the unpaired electrons on carbon atoms surrounding the silicon vacancy. Interestingly, starting from different initial spin distributions, two spin configurations with S=1 and 2 are obtained, and the energy difference between them is only 39 meV. The spatial distribution of spin density displays the features of ferrimagnetic alignments for the most stable configuration.

• 出版日期2010-7
• 单位山东大学