Title
Hyperthermal oxidation of Si(100)2x1 surfaces : effect of growth temperatureHyperthermal oxidation of Si(100)2x1 surfaces : effect of growth temperature
Author
Faculty/Department
Faculty of Sciences. Chemistry
Research group
Plasma, laser ablation and surface modeling - Antwerp (PLASMANT)
Publication type
article
Publication
Washington, D.C.,
Subject
Physics
Chemistry
Engineering sciences. Technology
Source (journal)
The journal of physical chemistry : C : nanomaterials and interfaces. - Washington, D.C., 2007, currens
Volume/pages
116(2012):15, p. 8649-8656
ISSN
1932-7447
1932-7455
ISI
000302924900035
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
Using reactive molecular dynamics simulations based on the ReaxFF potential, we studied the growth mechanism of ultrathin silica (SiO2) layers during hyperthermal oxidation as a function of temperature in the range 100-1300 K. Oxidation of Si(100){2 x 1} surfaces by both atomic and molecular oxygen was investigated for hyperthermal impact energies in the range of 1 to 5 eV. Two different growth mechanisms are found, corresponding to a low temperature oxidation and a high temperature one. The transition temperature between these mechanisms is estimated to be about 700 K. Also, the initial step of the Si oxidation process is analyzed in detail. Where possible, we validated our results with experimental and ab initio data, and good agreement was obtained. This study is important for the fabrication of silica-based devices in the micro- and nanoelectronics industry and, more specifically, for the fabrication of metal oxide semiconductor devices.
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