期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 118, 期 49, 页码 28616-28624出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp5089349
关键词
-
资金
- National Natural Science Foundation of China [21273208, 21473168, 21121003]
- National Key Basic Research Program [2014CB921101, 2011CB921400]
- CAS [XDB01020000]
- Fundamental Research Funds for the Central Universities
- Anhui Provincial Natural Science Foundation [1408085QB26]
- China Postdoctoral Science Foundation [2012M511409]
- SCCAS, Shanghai
- USTC Supercomputer Centers
Carbon-doped boron nitride nanostructures including nanosheets, nanoribbons, and nanotubes have drawn enormous research attention because of their tunable electronic properties and widespread applications. In this work, we explore the electronic and magnetic properties of graphene flake-doped single-walled boron nitride nanotubes (BNNTs) on the basis of first-principles calculations. Theoretical results reveal that the band structures of these doped BNNTs can be effectively engineered by embedding graphene flakes with different sizes and shapes. Moreover, the Lieb theorem works for the triangle graphene flake-doped BNNTs, and the corresponding doped systems are ferromagnetic, originating from the spin-polarized interface states. All BNNTs embedded with the triangular graphene flakes with relatively small sizes are typical bipolar magnetic semiconductors, which can be easily tuned into half-metals by carrier doping, opening the door to their promising applications in spintronic devices.
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