Water-saturated Si(100)-(2x1): Kinetic Monte Carlo simulations of thermal oxygen incorporation

Authors
Esteve, A Chabal, YJ Raghavachari, K Weldon, MK Queeney, KT Rouhani, MD
Citation
A. Esteve et al., Water-saturated Si(100)-(2x1): Kinetic Monte Carlo simulations of thermal oxygen incorporation, J APPL PHYS, 90(12), 2001, pp. 6000-6005
Citations number
27
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
JOURNAL OF APPLIED PHYSICS
ISSN journal
00218979 → ACNP
Volume
90
Issue
12
Year of publication
2001
Pages
6000 - 6005
Database
ISI
SICI code
0021-8979(200112)90:12<6000:WSKMCS>2.0.ZU;2-3
Abstract
An atomic scale model of thermal oxidation of Si(100) has been developed ba sed on a kinetic Monte Carlo approach. This method makes it possible to ana lyze the effects of elementary mechanistic steps of oxidation on macroscopi c surfaces. The initial thermal decomposition of chemisorbed hydroxyl group s resulting from water adsorption on Si(100)-(2x1) is investigated by utili zing extensive IR data and ab initio calculations. (C) 2001 American Instit ute of Physics.