Adsorption of hydrogen and oxygen on single and double layer stepped Si(100) surfaces


Salman S., Katircioglu S. , Erkoc S.

INTERNATIONAL JOURNAL OF MODERN PHYSICS B, vol.15, no.16, pp.2261-2274, 2001 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 15 Issue: 16
  • Publication Date: 2001
  • Doi Number: 10.1142/s021797920100632x
  • Title of Journal : INTERNATIONAL JOURNAL OF MODERN PHYSICS B
  • Page Numbers: pp.2261-2274

Abstract

We have investigated the electronic band structure of hydrogen and oxygen adsorbed single and double layer stepped Si(100) surfaces by Empirical Tight Binding (ETB) method. The total electronic energies of the H,O-S-A, D-A, D-B type stepped Si(100) systems are calculated with limited number of hydrogen and oxygen atoms separately to find out the most probable adsorption sites of the adatoms in the initial stage of hydrogenation and oxidation.