Edge-passivation induced half-metallicity of zigzag zinc oxide nanoribbons

Qian Chen; Liyan Zhu; Jinlan Wang
September 2009
Applied Physics Letters;9/28/2009, Vol. 95 Issue 13, p133116
Academic Journal
The electronic and magnetic properties of zigzag zinc oxide (ZnO) nanoribbons with or without hydrogen passivation are investigated using ab initio calculations. The ribbon is found to be half-metallic ferromagnet when edge zinc atoms are passivated only. Moreover, the half-metallicity only emerges in the ribbons with relatively large width. Besides, the half-metallic ferromagnet can also be achieved when the passivatator H is replaced by CH3 or NH2. These diverse electronic and magnetic properties might open ZnO materials great possibility in future spintronics.


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