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

Journal Article · Sun Jun 15 00:00:00 EDT 2014 · AIP Advances

DOI:https://doi.org/10.1063/1.4883236· OSTI ID:22300020

Liu, Wu; Zhang, Kaiwang; Zhong, JianXin ^[1]; Wang, Ru-Zhi ^[2]; Liu, Li-Min ^[3]

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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)

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.

• OSTI ID: 22300020
• Journal Information: AIP Advances, Vol. 4, Issue 6; Other Information: (c) 2014 Author(s); Country of input: International Atomic Energy Agency (IAEA); ISSN 2158-3226
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
DENSITY
DENSITY FUNCTIONAL METHOD
DOPED MATERIALS
ELECTRONS
ENERGY GAP
FERMI LEVEL
GRAPHENE
GREEN FUNCTION
NANOSTRUCTURES
SEMICONDUCTOR MATERIALS
SPECTRA
TRANSMISSION