• 文献标题:   Generalized tight-binding transport model for graphene nanoribbon-based systems
  • 文献类型:   Article
  • 作  者:   HANCOCK Y, UPPSTU A, SALORIUTTA K, HARJU A, PUSKA MJ
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   1098-0121
  • 通讯作者地址:   Aalto Univ
  • 被引频次:   80
  • DOI:   10.1103/PhysRevB.81.245402
  • 出版年:   2010

▎ 摘  要

An extended tight-binding model that includes up to third-nearest-neighbor hopping and a Hubbard meanfield interaction term is tested against ab initio local spin-density approximation results of band structures for armchair- and zigzag-edged graphene nanoribbons. A single tight-binding parameter set is found to accurately reproduce the ab initio results for both the armchair and zigzag cases. Transport calculations based on the extended tight-binding model faithfully reproduce the results of ab initio transport calculations of graphene nanoribbon-based systems.