• 文献标题:   Graphene/Nanotube Quasi-1D-Structures in Strong Electric Fields
  • 文献类型:   Article
  • 作  者:   GLUKHOVA OE, SLEPCHENKOV MM
  • 作者关键词:   graphene/nanotube structure, conduction, ponderomotive force, strong electric field
  • 出版物名称:   PHYSICS OF THE SOLID STATE
  • ISSN:   1063-7834 EI 1090-6460
  • 通讯作者地址:  
  • 被引频次:   0
  • DOI:   10.1134/S106378342205002X EA AUG 2022
  • 出版年:   2022

▎ 摘  要

Energetically stable atomistic models of graphene/nanotube quasi-one-dimensional (1D) structures based on the chiral carbon nanotube (6,5), graphene nanoribbons, and graphene flakes are constructed. In silico studies of the density distribution of the electron charge, band structure, and conductance of quasi-1D-structures are performed. It was found that, in contrast to nanotubes and graphene, the transmission function of quasi-1D-structures has an intensity peak at the Fermi level. The effect of strong electric fields of 10(7)-10(8) V/cm on the atomic and electronic structure of quasi-1D-structures is also studied. As a result of quantum molecular-dynamics simulation, systematic features of atomic core deformation and destruction under a ponderomotive force are determined. A critical strength at which electric field detaches graphene from a tube is determined. It is similar to 2 x 10(8) V/cm. A further increase results in graphene detachment from a tube with its simultaneous fracture.