期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 113, 期 6, 页码 2273-2276出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp8079827
关键词
-
资金
- NSFC [10774003, 10474123, 10434010, 90606023, 20731160012]
- National 973 Project [2002CB613505, 2007CB936200]
- Nebraska Research Initiative [4132050400]
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.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据