About cookies on this site Our websites require some cookies to function properly (required). In addition, other cookies may be used with your consent to analyze site usage, improve the user experience and for advertising. For more information, please review your options. By visiting our website, you agree to our processing of information as described in IBM’sprivacy statement. To provide a smooth navigation, your cookie preferences will be shared across the IBM web domains listed here.
Publication
The Journal of Chemical Physics
Paper
A theoretical study of the initial stages of Si(111)-7×7 oxidation. II. The dissociated state and formation of SiO4
Abstract
In a preceding paper (referred to as part I) we presented a theoretical study of the initial stages of the oxidation of the Si(111). Specifically, we discussed the structure of the molecular precursors and the stable products, using approximate molecular orbital calculations of the extended Hückel type. In this contribution (part II) we propose pathways which lead from one oxygen chemisorption configuration to another. A scheme is constructed to account for the reaction sequence from the clean Si(111) surface to molecular precursors, through dissociated states and finally to SiO4 units which are precursors for bulk-like SiO2. © 1993 American Institute of Physics.