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Title: Modulation of the electron transport properties in graphene nanoribbons doped with BN chains

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.
Authors:
; ;  [1] ;  [2] ;  [3]
  1. Department of Physics, Xiangtan University, Xiangtan 411105 (China)
  2. College of Materials Science and Engineering, Beijing University of Technology, Beijing 100124 (China)
  3. Beijing Computational Science Research Centre, Beijing, 100084 (China)
Publication Date:
OSTI Identifier:
22300020
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Advances; Journal Volume: 4; Journal Issue: 6; Other Information: (c) 2014 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; DENSITY; DENSITY FUNCTIONAL METHOD; DOPED MATERIALS; ELECTRONS; ENERGY GAP; FERMI LEVEL; GRAPHENE; GREEN FUNCTION; NANOSTRUCTURES; SEMICONDUCTOR MATERIALS; SPECTRA; TRANSMISSION