标题：Neutral vacancy-defect-induced magnetism in SiC monolayer
作者：He, X.;He, T.;Wang, Z.;Zhao, M.
作者机构：[He, X] School of Physics, Shandong University, Jinan 250100, Shandong, China;[ He, T] School of Physics, Shandong University, Jinan 250100, Shandong, 更多
通讯作者地址：[Zhao, MW]Shandong Univ, Sch Phys, Jinan 250100, Shandong, Peoples R China.
来源：Physica, E. Low-dimensional systems & nanostructures
摘要：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.