Ab initio study of electronic and magnetic properties in TM-doped 2D silicon carbide

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• 作者：M. Luo^a ; ^{mluo@gench.edu.cn} ; Y.H. Shen^b ; T.L. Yin^b ; ^c
• 关键词：SiC ; Magnetic properties ; First-principles calculation ; Antiferromagnetic ; Haldane-Anderson model
• 刊名：Physica E: Low-dimensional Systems and Nanostructures
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：85
• 期：Complete
• 页码：280-284
• 全文大小：794 K
• 卷排序：85

文摘

We study the magnetic properties of SiC monolayer with different TM atoms and substitutional sites. The TMSi substituted SiC monolayers show larger magnetic moments and more stable structures. The p–d hybridization mechanism between Mn and its neighboring C atoms results in its ferromagnetic state. The AFM coupling is observed with increasing Mn-Mn distance which is explained by two-impurity Haldane-Anderson model.