Magnetic Properties of Fully Bare and Half-Bare Boron Nitride Nanoribbons

被引:108
作者
Lai, Lin [1 ]
Lu, Jing [1 ,2 ]
Wang, Lu [1 ]
Luo, Guangfu [1 ]
Zhou, Jing [1 ]
Qin, Rui [1 ]
Gao, Zhengxiang [1 ]
Mei, Wai Ning [2 ]
机构
[1] Peking Univ, Dept Phys, Mesoscop Phys Lab, Beijing 100871, Peoples R China
[2] Univ Nebraska, Dept Phys, Omaha, NE 68182 USA
关键词
GRAPHENE; METALLICITY;
D O I
10.1021/jp8079827
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We calculate the electronic structures of the fully bare and half-bare zigzag-edged boron nitride nanoribbons by using density functional theory. We find that the ground states of both the fully bare boron nitride nanoribbons and the boron nitride nanoribbons with a bare N edge and a H-terminated B edge are half-metallic. The alignment of the spin at the bare B edge is antiferromagnetic, while that at the bare N edge is ferromagnetic in the ground states of both the fully bare and half-bare zigzag-edged boron nitride nanoribbons. The H-terminated B or N edge of the half-bare zigzag-edged boron nitride nanoribbon exhibits no magnetism.
引用
收藏
页码:2273 / 2276
页数:4
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