• 文献标题:   Mobility of Vacancies under Deformation and Their Effect on the Elastic Properties of Graphene
  • 文献类型:   Article
  • 作  者:   FEDOROV AS, FEDOROV DA, POPOV ZI, ANAN EVA YE, ELISEEVA NS, KUZUBOV AA
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF EXPERIMENTAL THEORETICAL PHYSICS
  • ISSN:   1063-7761 EI 1090-6509
  • 通讯作者地址:   Russian Acad Sci
  • 被引频次:   9
  • DOI:   10.1134/S1063776111040042
  • 出版年:   2011

▎ 摘  要

The effect of isolated vacancies on the elastic properties of a graphene sheet has been investigated by the ab initio density functional method. An almost inverse linear dependence of the Young's modulus on the concentration of vacancies has been revealed. The height of potential barriers for the motion of vacancies in various directions has been calculated as a function of various independent applied strains. The velocity of vacancies at various temperatures has been calculated as a function of applied strains using the transition state theory. DOI: 10.1134/S1063776111040042