4.6 Article

The stabilities of boron nitride nanoribbons with different hydrogen-terminated edges

期刊

APPLIED PHYSICS LETTERS
卷 94, 期 23, 页码 -

出版社

AMER INST PHYSICS
DOI: 10.1063/1.3152767

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boron compounds; density functional theory; electronic structure; ferromagnetic materials; III-V semiconductors; nanostructured materials; wide band gap semiconductors

资金

  1. National Science Foundation of China [10674076, 10721404]
  2. MOST [2006CB605105]

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We have investigated the stabilities of boron nitride nanoribbons with different hydrogen-terminated edges by first principles calculations. Five kinds of the stable edges are determined for the zigzag boron nitride nanoribbons (ZBNNRs). While for the armchair boron nitride nanoribbons (ABNNRs), there are three kinds of the stable edges. ZBNNRs under hydrogen rich environment are found to be ferromagnetic metals, while ABNNRs are nonmagnetic semiconductors regardless of the hydrogen content.

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