Structural and electronic properties of InmSen microclusters: density functional theory calculations


Erkoc S. , Katircioglu S. , Yilmaz T.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.542, pp.101-105, 2001 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 542
  • Publication Date: 2001
  • Doi Number: 10.1016/s0166-1280(00)00820-4
  • Title of Journal : JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Page Numbers: pp.101-105

Abstract

We have investigated the structural and electronic properties of isolated InmSen microclusters for m + n less than or equal to 4 by performing density functional theory calculations. We have obtained the optimum geometries, possible dissociation channels and the electronic structure of the clusters considered. (C) 2001 Elsevier Science B.V. All rights reserved.