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:Zhao, M
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
出版年:2010
卷:42
期:9
页码:2451-2454
DOI:10.1016/j.physe.2010.06.010
关键词:Electronic structure;First-principle;Magnetism;Monolayer
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.
收录类别:EI;SCOPUS;SCIE
WOS核心被引频次:18
Scopus被引频次:19
资源类型:期刊论文
原文链接:https://www.scopus.com/inward/record.uri?eid=2-s2.0-77955303486&doi=10.1016%2fj.physe.2010.06.010&partnerID=40&md5=6d5cc18903cc19fc16e1864afe3e259a
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