Silanone (Si=O) on Si(100): Intermediate for initial silicon oxidation

Y. J. Chabal, Krishnan Raghavachari, X. Zhang, Eric Garfunkel

Research output: Contribution to journalArticle

73 Citations (Scopus)

Abstract

Infrared-absorption measurements and first-principles quantum chemical calculations reveal that the initial oxidation of clean Si(100)-(2x1) by O2 involves the formation of a metastable silanone intermediate, (O)Si=O, containing two oxygen atoms presumably from the same O2 molecule. Oxygen insertion into the surface silicon Si-Si backbonds is either thermally activated (∼1-eV barrier) or induced by atomic hydrogen exposure with formation of novel dihydride intermediates.

Original languageEnglish
Article number161315
Pages (from-to)1613151-1613154
Number of pages4
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume66
Issue number16
Publication statusPublished - Oct 15 2002

Fingerprint

Silicon
Oxygen
Oxidation
dihydrides
oxidation
Infrared absorption
silicon
infrared absorption
insertion
Hydrogen
oxygen atoms
Atoms
Molecules
oxygen
hydrogen
molecules
silanone

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Silanone (Si=O) on Si(100) : Intermediate for initial silicon oxidation. / Chabal, Y. J.; Raghavachari, Krishnan; Zhang, X.; Garfunkel, Eric.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 66, No. 16, 161315, 15.10.2002, p. 1613151-1613154.

Research output: Contribution to journalArticle

Chabal, Y. J. ; Raghavachari, Krishnan ; Zhang, X. ; Garfunkel, Eric. / Silanone (Si=O) on Si(100) : Intermediate for initial silicon oxidation. In: Physical Review B - Condensed Matter and Materials Physics. 2002 ; Vol. 66, No. 16. pp. 1613151-1613154.
@article{5c7ba46d65424e928c3c55cfe6b457d2,
title = "Silanone (Si=O) on Si(100): Intermediate for initial silicon oxidation",
abstract = "Infrared-absorption measurements and first-principles quantum chemical calculations reveal that the initial oxidation of clean Si(100)-(2x1) by O2 involves the formation of a metastable silanone intermediate, (O)Si=O, containing two oxygen atoms presumably from the same O2 molecule. Oxygen insertion into the surface silicon Si-Si backbonds is either thermally activated (∼1-eV barrier) or induced by atomic hydrogen exposure with formation of novel dihydride intermediates.",
author = "Chabal, {Y. J.} and Krishnan Raghavachari and X. Zhang and Eric Garfunkel",
year = "2002",
month = "10",
day = "15",
language = "English",
volume = "66",
pages = "1613151--1613154",
journal = "Physical Review B-Condensed Matter",
issn = "1098-0121",
publisher = "American Physical Society",
number = "16",

}

TY - JOUR

T1 - Silanone (Si=O) on Si(100)

T2 - Intermediate for initial silicon oxidation

AU - Chabal, Y. J.

AU - Raghavachari, Krishnan

AU - Zhang, X.

AU - Garfunkel, Eric

PY - 2002/10/15

Y1 - 2002/10/15

N2 - Infrared-absorption measurements and first-principles quantum chemical calculations reveal that the initial oxidation of clean Si(100)-(2x1) by O2 involves the formation of a metastable silanone intermediate, (O)Si=O, containing two oxygen atoms presumably from the same O2 molecule. Oxygen insertion into the surface silicon Si-Si backbonds is either thermally activated (∼1-eV barrier) or induced by atomic hydrogen exposure with formation of novel dihydride intermediates.

AB - Infrared-absorption measurements and first-principles quantum chemical calculations reveal that the initial oxidation of clean Si(100)-(2x1) by O2 involves the formation of a metastable silanone intermediate, (O)Si=O, containing two oxygen atoms presumably from the same O2 molecule. Oxygen insertion into the surface silicon Si-Si backbonds is either thermally activated (∼1-eV barrier) or induced by atomic hydrogen exposure with formation of novel dihydride intermediates.

UR - http://www.scopus.com/inward/record.url?scp=0037110110&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0037110110&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0037110110

VL - 66

SP - 1613151

EP - 1613154

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 1098-0121

IS - 16

M1 - 161315

ER -