• 文献标题:   Uniaxial strain in graphene and armchair graphene nanoribbons: An ab initio study
  • 文献类型:   Article
  • 作  者:   ROSENKRANZ N, MOHR M, THOMSEN C
  • 作者关键词:   graphene, graphene nanoribbon, strain, ab initio calculation
  • 出版物名称:   ANNALEN DER PHYSIK
  • ISSN:   0003-3804
  • 通讯作者地址:   Tech Univ Berlin
  • 被引频次:   19
  • DOI:   10.1002/andp.201000092
  • 出版年:   2011

▎ 摘  要

We report first-principles studies on the electronic and vibrational properties of uniaxially strained graphene and graphene nanoribbons. The band structure of extended graphene shows an interesting behavior under uniaxial strain in directions other than the zigzag or armchair direction. While strained graphene remains semi-metallic, one-dimensional graphene nanoribbons allow band-gap tuning via strain. The shift of the strain-induced band-gap in armachair nanoribbons depends on their family. At small strain the band-gap of all AGNRs depends linearly on the amount of strain. Concerning the vibrational spectra, we compare strain-induced shift rates of the G modes in two-dimensional graphene and AGNRs. The shift rates of the G(-) and G(+) modes in AGNRs strongly reflect the common classification into three families. For large ribbon widths all shift rates converge to their counterparts in graphene. (C) 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim