• 文献标题:   Intrinsic half-metallicity of the Stone-Wales edge reconstructed graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   PARK SY, MOON K, RHIM JW
  • 作者关键词:   graphene, halfmetal, nanoribbon, stonewales defect
  • 出版物名称:   PHYSICA STATUS SOLIDI BBASIC SOLID STATE PHYSICS
  • ISSN:   0370-1972 EI 1521-3951
  • 通讯作者地址:   Yonsei Univ
  • 被引频次:   1
  • DOI:   10.1002/pssb.201451306
  • 出版年:   2015

▎ 摘  要

Inspired by recent experimental observation of topological line defects along graphene edges, we study the electronic and magnetic properties of the zigzag graphene nanoribbons with Stone-Wales (SW) edge reconstructions. Since the bipartite nature of graphene is broken along the boundary layer due to the SW defects, the ground state exhibits two competing phases. By increasing the onsite Coulomb interaction U above a critical value, the paramagnetic ground state makes a transition to an edge ferromagnetic phase, which is followed by a subsequent transition to an edge antiferromagnetic phase upon further increase of U. We have also demonstrated that for a zigzag graphene nanoribbon with a single SW edge reconstruction, the ground state becomes an intrinsic half-metal for a realistic parameter range of U. (C) 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim