ADSORPTION OF WATER ON STEPPED SI(100) SURFACE

We have investigated possible water forms on stepped Si(100) surface. Calculations are performed by using the empirical tight-binding method . Two types of adsorption model of water on stepped Si(100) surface ha ve been considered; one of them is the dissociative type (H, OH) and t he other is the molecular type (H2O). The results of the density of st ates supported by total electronic energy calculations indicate a diss ociative type of water adsorption on the stepped Si(100) surface. (C) 1998 Elsevier Science B.V. All rights reserved.