Atomic and electronic properties of spherical silicon clusters

Erkoc S. , Katircioglu S.

PHYSICA E, cilt.4, ss.185-191, 1999 (SCI İndekslerine Giren Dergi) identifier identifier


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.