• 文献标题:   Resonant Raman spectra of graphene with point defects
  • 文献类型:   Article
  • 作  者:   POPOV VN, HENRARD L, LAMBIN P
  • 作者关键词:  
  • 出版物名称:   CARBON
  • ISSN:   0008-6223
  • 通讯作者地址:   Univ Sofia
  • 被引频次:   25
  • DOI:   10.1016/j.carbon.2009.04.043
  • 出版年:   2009

▎ 摘  要

The Raman spectra of graphene with three different types of point defects, namely, a mono-vacancy, a di-vacancy, and a Stone-Wales defect, was calculated within a non-orthogonal tight-binding model using supercells of graphene with a single defect. The defects were found to modify the electronic structure and the phonons of graphene giving rise to new optical transitions and defect-related phonons. Based on the calculated Raman spectra, we determined the Raman lines that can serve as signatures of the specific defects. The comparison of the calculated Raman intensity of the graphitic (G-) band of perfect graphene and graphene with defects shows that the intensity can be enhanced up to one order of magnitude by the presence of defects. (C) 2009 Elsevier Ltd. All rights reserved.