Theoretical analysis of semiconductor surface passivation by adsorption of alkaline-earth metals and chalcogens

Srivastava G. P. , AlZahrani A. Z. , Usanmaz D.

APPLIED SURFACE SCIENCE, cilt.258, sa.21, ss.8377-8386, 2012 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 258 Konu: 21
  • Basım Tarihi: 2012
  • Doi Numarası: 10.1016/j.apsusc.2012.03.166
  • Sayfa Sayıları: ss.8377-8386


We begin with the concept of semiconductor surface passivation by adsorption of sub-monolayer atomic coverages. We then present a theoretical analysis of structural reconstruction and passivating behaviour of semiconductor surfaces upon sub-monolayer adsorption of alkaline-earth metals (group II atoms) and chalcogens (group VI atoms). Specific results are presented from first-principles calculations for Ca adsorption on Si(0 0 1) and Si(1 1 1), and S adsorption on GaAs(0 0 1). The role of chemical species of adsorbate and surface atoms in achieving different degrees of passivation is highlighted. (c) 2012 Elsevier B.V. All rights reserved.