ADSORPTION OF HYDROGEN AND OXYGEN ON SINGLE AND DOUBLE LAYER STEPPED SI(100) SURFACES

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-SA, DA, DB 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.