Tuning magnetic splitting of zigzag graphene nanoribbons by edge functionalization with hydroxyl groups

Huizhen Zhang, Sheng Meng, Haifang Yang, Lin Li, Huixia Fu, Wei Ma, Chunyao Niu, Jiatao Sun, Changzhi Gu*

*此作品的通讯作者

科研成果: 期刊稿件文章同行评审

10 引用 (Scopus)

摘要

The electronic properties and relative stability of zigzag graphene nanoribbons are studied by varying the percentage of hydroxyl radicals for edge saturation using first principle calculations. The passivated structures of zigzag graphene nanoribbon have spin-polarized ground state with antiferromagnetic exchange coupling across the edge and ferromagnetic coupling along the edges. When the edges are specially passivated by hydroxyl, the potentials of spin exchange interaction across the two edges shift accordingly, resulting into a spin-semiconductor. Varying the concentration of hydroxyl groups can alter the maximum magnetization splitting. When the percentage of asymmetrically adsorbed hydroxyl reaches 50%, the magnetization splitting can reach a value as high as 275 meV due to the asymmetrical potential across the nanoribbon edges. These results would favor spintronic device applications based on zigzag graphene nanoribbons.

源语言英语
文章编号113902
期刊Journal of Applied Physics
117
11
DOI
出版状态已出版 - 21 3月 2015
已对外发布

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