SI3OY (Y=1-6) CLUSTERS - MODELS FOR OXIDATION OF SILICON SURFACES ANDDEFECT SITES IN BULK OXIDE MATERIALS

Authors
WANG LS NICHOLAS JB DUPUIS M WU HB COLSON SD
Citation
Ls. Wang et al., SI3OY (Y=1-6) CLUSTERS - MODELS FOR OXIDATION OF SILICON SURFACES ANDDEFECT SITES IN BULK OXIDE MATERIALS, Physical review letters, 78(23), 1997, pp. 4450-4453
Citations number
36
Categorie Soggetti
Physics
Journal title
Physical review letters → ACNP
ISSN journal
00319007
Volume
78
Issue
23
Year of publication
1997
Pages
4450 - 4453
Database
ISI
SICI code
0031-9007(1997)78:23<4450:S(C-MF>2.0.ZU;2-F
Abstract
We studied the structure and bonding of a series of silicon oxide clus ters, Si3Oy (y = 1-6), using anion photoelectron spectroscopy and ab i nitio calculations. For y = 1-3 the clusters represent the sequential oxidation of Si-3, and provide structural models for the oxidation of silicon surfaces. For y = 4-6, the clusters contain a central Si in a tetrahedral bonding environment, suggesting the onset of the bulklike structure. Evidence is presented that suggests the Si3O4 cluster (D-2d ) may provide a structural model for oxygen-deficient defect sites in bulk SiO2 materials.