Atomic and electronic structure of group-IV adsorbates on the GaAs(001)-(1 x 2) surface


Usanmaz D., ÇAKMAK M., ELLİALTIOĞLU S. Ş.

SURFACE SCIENCE, cilt.603, sa.17, ss.2683-2687, 2009 (SCI İndekslerine Giren Dergi) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 603 Konu: 17
  • Basım Tarihi: 2009
  • Doi Numarası: 10.1016/j.susc.2009.07.002
  • Dergi Adı: SURFACE SCIENCE
  • Sayfa Sayıları: ss.2683-2687

Özet

Ab initio calculations, based on pseudopotentials and density functional theory, have been performed to investigate the atomic and electronic structure of the group-IV adsorbates (C, Si, Ge, Sn, and Pb) on the GaAs(001)-(1 x 2) surface considered in two different models: (i) non-segregated Ga-IV-capped structure and (ii) segregated structure in which the group-IV atoms occupying the second layer while the As atom floats to the surface. The non-segregated structure is energetically more favorable than the segregated structure for Sn and Pb, whereas it is the other way around for C, Si, and Ge. (C) 2009 Elsevier B.V. All rights reserved.