• 文献标题:   Emergent magnetism in irradiated graphene nanostructures
  • 文献类型:   Article
  • 作  者:   DANIELS C, BULLARD Z, GIRAO EC, MEUNIER V
  • 作者关键词:  
  • 出版物名称:   CARBON
  • ISSN:   0008-6223 EI 1873-3891
  • 通讯作者地址:   Rensselaer Polytech Inst
  • 被引频次:   5
  • DOI:   10.1016/j.carbon.2014.06.072
  • 出版年:   2014

▎ 摘  要

We model the atomistic restructuring of different types of carbon nanoribbons as they are irradiated and subjected to uniaxial stress. Time scales relevant to realistic experimental conditions are achieved with an original Monte-Carlo algorithm that enacts rare events in a stochastic manner using the structure adjacency information. We use a Hubbard model Hamiltonian to analyze the appearance of magnetic domains emerging from the concerted rearrangement of armchair edged sections into zigzag configurations. The self-consistent Hamiltonian is also used to compute electronic transport properties to establish the presence of spin-polarized current flowing across the initially non-magnetic nanoribbons. (C) 2014 Elsevier Ltd. All rights reserved.