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Graphene/Nanotube Quasi-1D-Structures in Strong Electric Fields

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Abstract

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 107–108 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 ~2 × 108 V/cm. A further increase results in graphene detachment from a tube with its simultaneous fracture.

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Funding

This study was supported by the Russian Science Foundation, project no. 21-19-00226.

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  1. National Research Saratov State University named after N.G. Chernyshevsky, 410012, Saratov, Russia

    O. E. Glukhova & M. M. Slepchenkov

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  1. O. E. Glukhova
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Correspondence to O. E. Glukhova.

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Translated by A. Kazantsev

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Glukhova, O.E., Slepchenkov, M.M. Graphene/Nanotube Quasi-1D-Structures in Strong Electric Fields. Phys. Solid State 64, 185–192 (2022). https://doi.org/10.1134/S106378342205002X

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