Theoretical study of the GaAs(110)-(1x1)-H2S surface

Cakmak M., Srivastava G.

SURFACE SCIENCE, cilt.402, ss.658-662, 1998 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 402
  • Basım Tarihi: 1998
  • Doi Numarası: 10.1016/s0039-6028(97)00931-x
  • Dergi Adı: SURFACE SCIENCE
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.658-662
  • Gazi Üniversitesi Adresli: Evet

Özet

Ab initio calculations, based on pseudopotentials and the density functional theory, are performed for H2S adsorption on the GaAs(110)-(1 x 1) surface to investigate atomic geometry, electronic states and bonding within the "dissociative adsorption model". We find that the fundamental band gap is free of surface states, indicating that the adsorption of H2S passivates the GaAs(110) surface, in agreement with recent experimental results. We also find two characteristic electronic states in the bulk stomach gap region, due to the bonding between As and H+, and between Ga and SH-. The energy location of these states is in good agreement with angle-resolved photoelectron emission data. (C) 1998 Elsevier Science B.V. All rights reserved.