Atomic and electronic properties of spherical silicon clusters

Erkoc S. , Katircioglu S.

PHYSICA E, vol.4, no.3, pp.185-191, 1999 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 4 Issue: 3
  • Publication Date: 1999
  • Doi Number: 10.1016/s1386-9477(99)00009-0
  • Title of Journal : PHYSICA E
  • Page Numbers: pp.185-191


We have investigated the atomic and electronic properties of spherical ideal Si-N clusters (N = 5-417) using the empirical many-body potential energy function consisting of two- and three-body interactions, and by empirical tight-binding calculations, respectively. It has been found that the average interaction energy per atom decreases as the cluster size increases, and it becomes almost constant after the size N greater than or equal to 275. On the other hand, the band gap shows cluster size dependent characteristics; the band gap decreases as the cluster sire increases. (C) 1999 Elsevier Science B.V. All rights reserved.