• 文献标题:   Edge effects in finite elongated graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   HOD O, PERALTA JE, SCUSERIA GE
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   1098-0121
  • 通讯作者地址:   Rice Univ
  • 被引频次:   130
  • DOI:   10.1103/PhysRevB.76.233401
  • 出版年:   2007

▎ 摘  要

We analyze the relevance of finite-size effects to the electronic structure of long graphene nanoribbons using a divide and conquer density functional approach. We find that for hydrogen terminated graphene nanoribbons, most of the physical features appearing in the density of states of an infinite graphene nanoribbon are recovered at a length of 40 nm. Nevertheless, even for the longest systems considered (72 nm long) pronounced edge effects appear in the vicinity of the Fermi energy. The weight of these edge states scales inversely with the length of the ribbon, and they are expected to become negligible only at ribbon lengths of the order of micrometers. Our results indicate that careful consideration of finite-size and edge effects should be applied when designing new nanoelectronic devices based on graphene nanoribbons. These conclusions are expected to hold for other one-dimensional systems such as carbon nanotubes, conducting polymers, and DNA molecules.