• Theoretical study on effect of radial and axial deformation on electron transport properties in a semiconducting Si–C nanotube

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      https://www.ias.ac.in/article/fulltext/boms/035/05/0713-0718

    • Keywords

       

      Nanotube; SiCNT; armchair-zigzag; defects; deformation.

    • Abstract

       

      We investigate electron transport properties in a deformed (8, 0) silicon carbide nanotube by applying self consistent non-equilibrium Green’s function formalism in combination with the density-functional theory to a two-probe molecular junction constructed from deformed nanotube. The results suggest significant reduction in threshold voltage in the case of both radially compressed and axially elongated (8, 0) SiCNTs, a large difference in current–voltage characteristics was observed. Analysis of frontier molecular orbitals (FMO) and transmission spectrum show bandgap reduction in deformed nanotubes. Deformation introduces electronic states near the Fermi level, enhancing the conduction properties of (8, 0) SiCNT. The FMOs and the orbitals corresponding to peaks in 𝑇(𝐸) around Fermi level obviously has some major contributions from the deformed site. However, localization of the electronic state near the Fermi level is weak in (8, 0) SiCNT, possibly because of its large bandgap.

    • Author Affiliations

       

      Sudhanshu Choudhary1 S Qureshi1

      1. Department of Electrical Engineering, Indian Institute of Technology, Kanpur 208 016, India
    • Dates

       
  • Bulletin of Materials Science | News

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