• 文献标题:   Tunable Electronic and Magnetic Properties of Graphene Flake-Doped Boron Nitride Nanotubes
  • 文献类型:   Article
  • 作  者:   GUAN ZY, WANG WY, HUANG J, WU XJ, LI QX, YANG JL
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICAL CHEMISTRY C
  • ISSN:   1932-7447 EI 1932-7455
  • 通讯作者地址:   Univ Sci Technol China
  • 被引频次:   15
  • DOI:   10.1021/jp5089349
  • 出版年:   2014

▎ 摘  要

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.