Boron and Nitrogen Doping Induced Half-Metallicity in Zigzag Triwing Graphene Nanoribbons

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• 作者：Liang Ma ; Hong Hu ; Liyan Zhu ; Jinlan Wang
• 刊名：Journal of Physical Chemistry C
• 出版年：2011
• 出版时间：April 14, 2011
• 年：2011
• 卷：115
• 期：14
• 页码：6195-6199
• 全文大小：868K
• 年卷期：v.115,no.14(April 14, 2011)
• ISSN：1932-7455

文摘

The electronic and magnetic properties of quasi-1D zigzag triwing graphene (ZZ-TWG) ribbons with boron and nitrogen (BN) doping were investigated by means of a spin-polarized density functional theory approach. Our results showed that asymmetric BN doping can give rise to half-metallicity and suppress spin polarization of the doped wings, making the BN-doped ZZ-TWGs potential application in spintronics devices. Heavily doping can turn metallic ZZ-TWG ribbons into semiconductors. A critical ratio of BN to C and appropriate doping site (e.g., ribbon鈥檚 edges) are required for achieving specific electronic properties. An effective path of engineering electronic properties of ZZ-TWGs by BN doping was suggested.