Boron and Nitrogen Doping Induced Half-Metallicity in Zigzag Triwing Graphene Nanoribbons
journal contributionposted on 14.04.2011 by Liang Ma, Hong Hu, Liyan Zhu, Jinlan Wang
Any type of content formally published in an academic journal, usually following a peer-review process.
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’s edges) are required for achieving specific electronic properties. An effective path of engineering electronic properties of ZZ-TWGs by BN doping was suggested.