• 文献标题:   Monte Carlo simulation of temperature-dependent elastic properties of graphene
  • 文献类型:   Article
  • 作  者:   CHEN S, CHRZAN DC
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   1098-0121
  • 通讯作者地址:   Univ Calif Berkeley
  • 被引频次:   19
  • DOI:   10.1103/PhysRevB.84.195409
  • 出版年:   2011

▎ 摘  要

Monte Carlo simulations within the isoenthalpic-isotension-isobaric ensemble are employed to compute the elastic properties and relevant thermodynamic functions of freestanding monolayer graphenes in order to explore the influence of thermal ripples on the elastic properties of graphene. Thermal ripples soften the elastic constants, and lead to the negative thermal expansion coefficient observed experimentally at low temperatures.