• 文献标题:   Modulation of the electron transport properties in graphene nanoribbons doped with BN chains
  • 文献类型:   Article
  • 作  者:   LIU W, ZHANG KW, WANG RZ, ZHONG JX, LIU LM
  • 作者关键词:  
  • 出版物名称:   AIP ADVANCES
  • ISSN:   2158-3226
  • 通讯作者地址:   Xiangtan Univ
  • 被引频次:   4
  • DOI:   10.1063/1.4883236
  • 出版年:   2014

▎ 摘  要

Using density-functional theory and the non-equilibrium Green's function method, the electron transport properties of zigzag graphene nanoribbons (ZGNRs) doped with BN chains are studied by systematically calculating the energy band structure, density of states and the transmission spectra for the systems. The BN chains destroyed the electronic transport properties of the ZGNRs, and an energy gap appeared for the ZGNRs, and displayed variations from a metal to a wide-gap semiconductor. With an increase in the number of BN chains, the band gap increased gradually in the band structure and the transmission coefficient decreased near the Fermi surface. Additionally, the doping position had a significant effect on the electronic properties of the ZGNRs. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.