• 文献标题:   Braiding of edge states in narrow zigzag graphene nanoribbons: Effects of third-neighbor hopping on transport and magnetic properties
  • 文献类型:   Article
  • 作  者:   CORREA JH, PEZO A, FIGUEIRA MS
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   Univ Fed Fluminense
  • 被引频次:   1
  • DOI:   10.1103/PhysRevB.98.045419
  • 出版年:   2018

▎ 摘  要

We study narrow zigzag graphene nanoribbons (ZGNRs), employing density functional theory (DFT) simulations and the tight-binding (TB) method. The main result of these calculations is the braiding of the conduction and valence bands, generating Dirac cones for noncommensurate wave-vectors (k)over-right-arrow. Employing a TB Hamiltonian, we show that the braiding is generated by the third-neighbor hopping. We calculate the band structure, the density of states, and the conductance; new conductance channels are opened, and the conductance at the Fermi energy assumes integer multiples of the quantum conductance unit G(o) = 2e(2)/ h. We also investigate the satisfaction of the Stoner criterion by these ZGNRs. We calculate the magnetic properties of the fundamental state, employing the random-phase approximation and employing local spin-density approximation (LSDA) (spin-unrestricted DFT) we confirm that ZGNRs with N = (2,3) do not satisfy the Stoner criterion and as such, the magnetic order could not be developed at their edges. These results are confirmed by both tight-binding and LSDA calculations.