Self-Energy Corrections to DFT-LDA Gaps of Realistic Carbon Nanotubes

Abstract

Since their discovery carbon nanotubes have attracted much interest for their peculiar electronic properties which go from metallic to semiconducting behaviour, depending both on diameter and chirality. The exact value of their band gap is obviously a crucial point to be addressed because it enters in the nanotube application as microelectronic devices. By making use of an efficient GW scheme, previously tested on bulk systems, as well as of a model screening function, we obtained for the first time excitation energies and band-gap values for carbon nanotubes. Results for (6, 0) and (7, 0) will be presented and discussed.

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Document Details

Document Type
Technical Report
Publication Date
Nov 01, 2001
Accession Number
ADP012185

Entities

People

  • Francesco Casula
  • Giancarlo Cappellini
  • Guido Satta

Organizations

  • University of Cagliari

Tags

Communities of Interest

  • Advanced Electronics

DTIC Thesaurus Topics

  • Atoms
  • Band Gaps
  • Band Structures
  • Bulk Semiconductors
  • Carbon Nanotubes
  • Computational Science
  • Energy Bands
  • Energy Levels
  • Equations
  • Fullerenes
  • Graphene
  • Graphitic Materials
  • Materials
  • Nanocomposites
  • Paper
  • Quasiparticles
  • Semiconductors

Fields of Study

  • Physics

Readers

  • Finite Element Method (FEM) for solving Partial Differential Equations (PDEs)
  • Nanocomposite Materials Science
  • Quantum Dot Semiconductor Device Photonics and Graphene Optoelectronic Materials and THz Physics.

Technology Areas

  • Microelectronics
  • Microelectronics - Graphene