Au-8 cluster adsorption on Si(100):2 x 1 asymmetric surface studied by a first principles calculation

Akturk O. U., TOMAK M.

THIN SOLID FILMS, cilt.518, sa.12, ss.3234-3239, 2010 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 518 Sayı: 12
  • Basım Tarihi: 2010
  • Doi Numarası: 10.1016/j.tsf.2009.10.159
  • Dergi Adı: THIN SOLID FILMS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.3234-3239
  • Orta Doğu Teknik Üniversitesi Adresli: Evet

Özet

In this work, we investigate the adsorption of Au-8 cluster onto H-terminated Si(100):2 x 1 asymmetric surface by density functional theory within local density and generalized gradient approximations. We study the site-dependent shape of Au-8 cluster, adsorption energies, band structures and the corresponding charge distribution. We show that the electronic properties of the cluster and substrate complex change with the location of the cluster on the surface. (C) 2009 Elsevier B.V. All rights reserved.