• 文献标题:   AA stacking, tribological and electronic properties of double-layer graphene with krypton spacer
  • 文献类型:   Article
  • 作  者:   POPOV AM, LEBEDEVA IV, KNIZHNIK AA, LOZOVIK YE, POTAPKIN BV, POKLONSKI NA, SIAHLO AI, VYRKO SA
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF CHEMICAL PHYSICS
  • ISSN:   0021-9606 EI 1089-7690
  • 通讯作者地址:   Russian Acad Sci
  • 被引频次:   9
  • DOI:   10.1063/1.4824298
  • 出版年:   2013

▎ 摘  要

Structural, energetic, and tribological characteristics of double-layer graphene with commensurate and incommensurate krypton spacers of nearly monolayer coverage are studied within the van der Waals-corrected density functional theory. It is shown that when the spacer is in the commensurate phase, the graphene layers have the AA stacking. For this phase, the barriers to relative in-plane translational and rotational motion and the shear mode frequency of the graphene layers are calculated. For the incommensurate phase, both of the barriers are found to be negligibly small. A considerable change of tunneling conductance between the graphene layers separated by the commensurate krypton spacer at their relative subangstrom displacement is revealed by the use of the Bardeen method. The possibility of nanoelectromechanical systems based on the studied tribological and electronic properties of the considered heterostructures is discussed. (C) 2013 AIP Publishing LLC.