• 文献标题:   Simulation of ripples in single layer graphene sheets and study of their vibrational and elastic properties
  • 文献类型:   Article
  • 作  者:   IYAKUTTI K, SURYA VJ, EMELDA K, KAWAZOE Y
  • 作者关键词:   graphene, graphene nanoribbon, vibrating membrane model, ripple height, chirality, acoustic mode
  • 出版物名称:   COMPUTATIONAL MATERIALS SCIENCE
  • ISSN:   0927-0256
  • 通讯作者地址:   Madurai Kamaraj Univ
  • 被引频次:   17
  • DOI:   10.1016/j.commatsci.2011.07.029
  • 出版年:   2012

▎ 摘  要

We present the results of our theoretical investigation on ripples and elastic properties of single layer graphene sheets in both membrane and ribbon conformations. The formation of ripples in both the systems is simulated and analyzed using two-dimensional vibrating membrane model. We have chosen both square graphene membrane, armchair and zigzag graphene nanoribbons with different sizes. The amplitude of vibrational modes of each system is determined using this model. We observed that the vertical displacement (amplitude of the ripples) reaches a maximum height of about 0.99 nm from the mean plane in both conformations whose lengths are integral multiple of the basic armchair/zigzag units. We have studied the dynamical elastic properties through the calculation of parameters like normalized stiffness, speed parameter, Cauchy number and critical velocity with reference to a new aspect ratio of graphene sheets. We have made correlations between the calculated parameters with the formation of ripples and found that the out-of-plane deformations are spontaneous and significant in square conformation of graphene than the graphene nanoribbons. The vibrational modes obtained for GNRs and membranes are acoustic modes. The results of our study will be very much useful in selecting graphene sheets with suitable conformation and chirality for designing nanoscale devices. (C) 2011 Elsevier B.V. All rights reserved.