Semi-empirical SCF-MO calculations for the structural and electronic properties of single-wall InP nanotubes


Erkoc S.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.676, pp.109-113, 2004 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 676
  • Publication Date: 2004
  • Doi Number: 10.1016/j.theochem.2004.03.013
  • Title of Journal : JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Page Numbers: pp.109-113

Abstract

The structural and electronic properties of armchair and zigzag models of single-wall InP nanotubes have been investigated qualitatively by performing semi-empirical self-consistent-field molecular orbital calculations at the level of PM3 method within the RHF formulation. It has been found that these structures are stable and they may be used as conducting nanowires in nanodevice and optoelectronic applications. (C) 2004 Elsevier B.V. All rights reserved.