Adsorbing the magnetic superhalogen MnCl(3) to realize intriguing half-metallic and spin-gapless-semiconducting behavior in zigzag or armchair SiC nanoribbon.
Adsorbing the magnetic superhalogen MnCl(3) to realize intriguing half-metallic and spin-gapless-semiconducting behavior in zigzag or armchair SiC nanoribbon.
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吸附磁性超卤素 MnCl3 在锯齿状或扶手椅式 SiC 纳米带中实现有趣的半金属和自旋无间隙半导体行为
DOI：
10.1039/c8ra01632a
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发表时间：
2018-04-09
期刊：
影响因子：
3.9
通讯作者：
Chen, Wei
中科院分区：
文献类型：
--
作者：
Li, Hui;Yu, Guangtao;Zhang, Zengsong;Ma, Yanfeng;Huang, Xuri;Chen, Wei
通过第一性原理计算，我们首次提出了一种新的有效的策略，即通过吸附磁性超卤素MnCl 3来调制锯齿形和扶手椅形SiC纳米带（分别为zSiCNR和aSiCNR）的电子和磁性.由于磁性超卤原子MnCl 3具有较大的内禀磁矩和较强的吸电子能力，吸附MnCl 3可以在衬底SiCNR中引入磁性，同时诱导SiCNR向MnCl 3的电子转移过程，导致带面静电势明显增加，类似于外加电场.结果，原始zSiCNR的磁简并性可以被打破，并且在改性的zSiCNR系统中可以观察到稳健的铁磁半金属性或金属性，而在改性的aSiCNR系统中可以获得稳健的铁磁半金属性或自旋无隙半导体性行为。注意，吸引人的半金属性和自旋无隙半导体行为都是未来自旋电子应用的关键特征。此外，所有这些新的超卤素-SiC纳米系统可以具有相当高的结构稳定性。这些有趣的发现将有利于在不久的将来促进优异的SiC基纳米材料在自旋电子学和多功能纳米器件中的应用。
By means of first-principles computations, we first propose a new and effective strategy through adsorbing the magnetic superhalogen MnCl3 to modulate the electronic and magnetic properties of zigzag- and armchair-edged SiC nanoribbons (zSiCNR and aSiCNR, respectively). In view of its large intrinsic magnetic moment and strong electron-withdrawing ability, the adsorption of magnetic superhalogen MnCl3 can introduce magnetism in the substrate SiCNR, and simultaneously induce the electron transfer process from SiCNR to MnCl3, resulting in the evident increase of electrostatic potential in the ribbon plane, like applying an electric field. As a result, the magnetic degeneracy of pristine zSiCNR can be broken and a robust ferromagnetic half-metallicity or metallicity can be observed in the modified zSiCNR systems, while a robust ferromagnetic half-metallic or spin-gapless-semiconducting behavior can be obtained in the modified aSiCNR systems. Note that both the appealing half-metallicity and spin-gapless-semiconductor behavior are key features which hold promise for future spintronic applications. Moreover, all of these new superhalogen–SiC nanosystems can possess considerably high structural stabilities. These intriguing findings will be advantageous for promoting excellent SiC-based nanomaterials in the applications of spintronics and multifunctional nanodevices in the near future.
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影响因子：
3
作者：
Grimme, Stefan
通讯作者：
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影响因子：
3.7
作者：
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通讯作者：
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影响因子：
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作者：
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影响因子：
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通讯作者：
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影响因子：
3.3
作者：
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通讯作者：
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