Half-metallicity and high spin-filtering effect of magnetic atoms embedded zigzag 6, 6, 12-graphyne nanoribbon

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• 作者：Chen-Chen Zhao^a ; Shi-Hua Tan^a ; ^b ; Yan-Hong Zhou^b ; Rong-Ji Wang^a ; Xin-Jun Wang^a ; ^{xjwang64@aliyun.com} ; Ke-Qiu Chen^b ; ^{keqiuchen@hnu.edu.cn}
• 刊名：Carbon
• 出版年：2017
• 出版时间：March 2017
• 年：2017
• 卷：113
• 期：Complete
• 页码：170-175
• 全文大小：1134 K
• 卷排序：113

文摘

We investigate the effects of embedded magnetic atoms on the edge states and spin-dependent transport properties of zigzag 6, 6, 12-graphyne nanoribbon (6, 6, 12-Z GYNRs) using non-equilibrium Greens functions combined with density-function theory. The results show that spin splitting occurs when doping magnetic atoms in the natural “holes” of the 6, 6, 12-Z GYNRs. Particularly, the half-metallicity can be achievable by the magnetic doping of the Co atom, which originates from the reversion of magnetic moment of edge carbon atoms induced by the coupling between the edge and the impurity states. Furthermore, in such doped nanoribbons, a high spin-filtering effect in rather wide bias range is found, opening a huge possibility in spintronics device applications.