Publications [#235016] of Weitao Yang

Journal Articles
  1. Li, Z; Wang, C-Y; Zhang, X; Ke, S-H; Yang, W, Transport properties of an armchair carbon nanotube with a double vacancy under stretching, Journal of Physics: Condensed Matter, vol. 20 no. 34 (2008), pp. 345225 [doi] .

    Abstract:
    Structural properties of metallic single-walled carbon nanotubes with a double vacancy under stretching are studied by using a multiscale hybrid energy density method. Based on the optimized structure, the single-particle Green function method is then used to investigate the transport property. It is found that a reconstruction of the structure occurs with an increase of the imposed axial force, which alters the transmission function around the Fermi energy and will reduce the current. This reconstruction cannot be found by running a molecular dynamics simulation without a quantum description. © 2008 IOP Publishing Ltd.