Atomic and electronic properties of spherical silicon clusters

Erkoc S., Katircioglu S.

PHYSICA E, cilt.4, sa.3, ss.185-191, 1999 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 4 Sayı: 3
  • Basım Tarihi: 1999
  • Doi Numarası: 10.1016/s1386-9477(99)00009-0
  • Dergi Adı: PHYSICA E
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.185-191
  • Orta Doğu Teknik Üniversitesi Adresli: Evet

Özet

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.