Strain-activated edge reconstruction of graphene nanoribbons
Author(s) -
Yingchun Cheng,
H. T. Wang,
Zhiyong Zhu,
Yihan Zhu,
Yu Han,
Xixiang Zhang,
Udo Schwingenschlögl
Publication year - 2012
Publication title -
physical review b
Language(s) - English
Resource type - Journals
eISSN - 1538-4489
pISSN - 1098-0121
DOI - 10.1103/physrevb.85.073406
Subject(s) - graphene nanoribbons , materials science , zigzag , graphene , antiferromagnetism , band gap , enhanced data rates for gsm evolution , condensed matter physics , ferromagnetism , electronic structure , electronic band structure , nanotechnology , optoelectronics , physics , geometry , telecommunications , computer science , mathematics
The edge structure and width of graphene nanoribbons (GNRs) are crucial factors for the electronic properties. A combination of experiment and first-principles calculations allows us to determine the mechanism of the hexagon-hexagon to pentagon-heptagon transformation. GNRs thinner than 2 nm have been fabricated by bombardment of graphene with high-energetic Au clusters. The edges of the GNRs are modified in situ by electron irradiation. Tensile strain along the edge decreases the transformation energy barrier. Antiferromagnetism and a direct band gap are found for a zigzag GNR, while a fully reconstructed GNR shows an indirect band gap. A GNR reconstructed on only one edge exhibits ferromagnetism. We propose that strain is an effective method to tune the edge and, therefore, the electronic structure of thin GNRs for graphene-based electronics
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