• 文献标题:   Phonon softening and failure of graphene under tensile strain
  • 文献类型:   Article
  • 作  者:   HWANG J, IHM J, KIM KS, CHA MH
  • 作者关键词:   graphene, kekule distortion, kohn anomaly, phonon instability
  • 出版物名称:   SOLID STATE COMMUNICATIONS
  • ISSN:   0038-1098 EI 1879-2766
  • 通讯作者地址:   Brown Univ
  • 被引频次:   4
  • DOI:   10.1016/j.ssc.2014.09.020
  • 出版年:   2014

▎ 摘  要

Phonon softening of graphene under tensile strain is investigated based on ab initio density functional theory calculations. We demonstrate that, over a wide range of tensile strain directions, the strain-induced enhancement of phonon softening can give rise to phonon instabilities resulting in a mechanical failure of graphene. It is shown that there are two types of instabilities associated with phonons near K and G points, respectively, which induce symmetry-breaking structural distortions, and both of them lead to mechanical failure prior to the elastic failure commonly expected when the structural symmetry is retained. (C) 2014 Elsevier Ltd. All rights reserved.