Si3Oy( y = 1-6) clusters

Models for oxidation of silicon surfaces and defect sites in bulk oxide materials

Lai Sheng Wang, John B. Nicholas, Michel Dupuis, Hongbin Wu, Steven D. Colson

Research output: Contribution to journalArticle

108 Citations (Scopus)

Abstract

We studied the structure and bonding of a series of silicon oxide clusters, Si3Oy (y = 1 - 6), using anion photoelectron spectroscopy and ab initio calculations. For y = 1 - 3 the clusters represent the sequential oxidation of Si3, 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 (D2d) may provide a structural model for oxygen-deficient defect sites in bulk SiO2 materials.

Original languageEnglish
Pages (from-to)4450-4453
Number of pages4
JournalPhysical Review Letters
Volume78
Issue number23
Publication statusPublished - 1997

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oxidation
oxides
defects
silicon
silicon oxides
photoelectron spectroscopy
anions
oxygen

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Si3Oy( y = 1-6) clusters : Models for oxidation of silicon surfaces and defect sites in bulk oxide materials. / Wang, Lai Sheng; Nicholas, John B.; Dupuis, Michel; Wu, Hongbin; Colson, Steven D.

In: Physical Review Letters, Vol. 78, No. 23, 1997, p. 4450-4453.

Research output: Contribution to journalArticle

Wang, Lai Sheng ; Nicholas, John B. ; Dupuis, Michel ; Wu, Hongbin ; Colson, Steven D. / Si3Oy( y = 1-6) clusters : Models for oxidation of silicon surfaces and defect sites in bulk oxide materials. In: Physical Review Letters. 1997 ; Vol. 78, No. 23. pp. 4450-4453.
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