• 文献标题:   A real-space study of random extended defects in solids: Application to disordered Stone-Wales defects in graphene
  • 文献类型:   Article
  • 作  者:   CHOWDHURY S, BAIDYA S, NAFDAY D, HALDER S, KABIR M, SANYAL B, SAHADASGUPTA T, JANA D, MOOKERJEE A
  • 作者关键词:   extended disordered defect, real space recursion method
  • 出版物名称:   PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES
  • ISSN:   1386-9477 EI 1873-1759
  • 通讯作者地址:   SN Bose Natl Ctr Basic Sci
  • 被引频次:   19
  • DOI:   10.1016/j.physe.2014.04.002
  • 出版年:   2014

▎ 摘  要

We propose here a first -principles, parameter free, real space method for the study of disordered extended defects in solids. We shall illustrate the power of the technique with an application to graphene sheets with randomly placed Stone Wales defects and shall examine the signature of such random defects on the density of states as a function of their concentration. The technique is general enough to be applied to a whole class of systems with lattice translational symmetry broken not only locally but by extended clefecis and clefeci cluslers. The real space approach will allow us to distinguish signalures of specific clefccis and defect clusters. (C). 2014 Elsevier By. All rights reserved,