• 文献标题:   Effects of band hybridization on electronic properties in tuning armchair graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   KHATUN M, KAN Z, CANCIO A, NELSON C
  • 作者关键词:   armchair gnr, band gap, metallicity, band structure, conductance, local density of state
  • 出版物名称:   CANADIAN JOURNAL OF PHYSICS
  • ISSN:   0008-4204 EI 1208-6045
  • 通讯作者地址:   Ball State Univ
  • 被引频次:   3
  • DOI:   10.1139/cjp-2015-0066
  • 出版年:   2016

▎ 摘  要

We explore a model of armchair graphene nanoribbons tuned by functionalizing the edge states. Edge modifications are modeled by changing the electronic energy of the edge states in specific periodic patterns. The model can be considered to mimic a controlled doping process with different elements. The band structure, density of states, conductance, and local density of states are calculated, using the tight binding approach, Green's function methodology, and the Landauer formula. The results show interesting behaviors, which are considerably different from the properties of the perfect nanoribbons. The hybridization of conducting bands with non-conducting bands, which appear perfectly flat in the perfect ribbon, opens up and modifies gaps in conductance near the Fermi level. One particular pattern of edge functionalization causes a strong, symmetric, and systematic band gap change about the Fermi level, modifying the electronic characteristics in the energy dispersion, density of states, local density of states, and conductance.