• 文献标题:   Commensurate-incommensurate phase transition in bilayer graphene
  • 文献类型:   Article
  • 作  者:   POPOV AM, LEBEDEVA IV, KNIZHNIK AA, LOZOVIK YE, POTAPKIN BV
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   Inst Spect
  • 被引频次:   46
  • DOI:   10.1103/PhysRevB.84.045404
  • 出版年:   2011

▎ 摘  要

A commensurate-incommensurate phase transition in bilayer graphene is investigated in the framework of the Frenkel-Kontorova model extended to the case of two interacting chains of particles. Analytic expressions are derived to estimate the critical unit elongation of one of the graphene layers at which the transition to the incommensurate phase takes place, the length and formation energy of incommensurability defects (IDs), and the threshold force required to start relative motion of the layers on the basis of dispersion-corrected density functional theory (DFT-D) calculations of the interlayer interaction energy as a function of the relative position of the layers. These estimates are confirmed by atomistic calculations using the DFT-D based classical potential. The possibility to measure the barrier for relative motion of graphene layers by the study of formation of IDs in bilayer graphene is discussed.