Ab Initio Study of Si Doped Carbon Nanotubes: Electronic and Structural Properties

Abstract

We report the electronic and structural properties of silicon doped carbon nanotubes using first principles calculations based on the density-functional theory. In the doped metallic nanotube a resonant state appears about 0.7 eV above the Fermi level and for the semiconductor tube the Si introduces an empty level at approximately 0.6 eV above the top of the valence band.

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Document Details

Document Type
Technical Report
Publication Date
Apr 04, 2001
Accession Number
ADP012148

Entities

People

  • A. Fazzio
  • Antonio J. Da Silva
  • R. J. Baierle
  • Ronaldo Mota
  • Solange B. Fagan

Organizations

  • University of São Paulo

Tags

Communities of Interest

  • Advanced Electronics

DTIC Thesaurus Topics

  • Atoms
  • Band Structures
  • Brillouin Zones
  • Carbon Nanotubes
  • Charge Density
  • Crystal Structure
  • Density Functional Theory
  • Energy Bands
  • Fermi Levels
  • First Principles Calculations
  • Fullerenes
  • Impurities
  • Materials
  • Paper
  • Semiconductors
  • Structural Properties
  • Valence Bands

Fields of Study

  • Materials science
  • Physics

Readers

  • Materials Science and Engineering.
  • Quantum Chemistry
  • Quantum Dot Semiconductor Device Photonics and Graphene Optoelectronic Materials and THz Physics.

Technology Areas

  • Microelectronics
  • Microelectronics - Graphene