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conference paper

Model interface between silicon and disordered SiO2

Pasquarello, Alfredo  
•
Hybertsen, M. S.
2000
Physics and Chemistry of Sio2 and the Si-Sio2 Interface - 4
Fourth International Symposium on the Physics and Chemistry of SiO2 and the Si-SiO2 Interface

A model interface between Si and disordered SiO2 is obtained which incorporates the interface bonding pattern previously generated by first-principles molecular dynamics. The model is then characterized by comparing its properties with experimental data which provide an atomic-scale characterization of the interfacial region. The model is found to adequately reproduce the disordered nature of the oxide, the good coordination at the interface, the transition to stoichiometric SiO2, and the photoemission data. In particular, calculated Si 2p core-level shifts show a linear dependence on the number of nearest neighbor O atoms, confirming previous results obtained for interface models with ordered oxides. The comparisons with X-ray reflectivity and ion scattering experiments, which set constraints on the density in the oxide and on the size of the displacements in the upper part of the substrate, respectively, are also discussed.

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Type
conference paper
Web of Science ID

WOS:000087729000027

Author(s)
Pasquarello, Alfredo  
Hybertsen, M. S.
Date Issued

2000

Publisher

Electrochemical Society

Publisher place

Pennington, NJ

Published in
Physics and Chemistry of Sio2 and the Si-Sio2 Interface - 4
ISBN of the book

1-56677-267-2

Series title/Series vol.

ECS Proceedings; 2000-2

Start page

271

End page

282

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
CSEA  
Event nameEvent placeEvent date
Fourth International Symposium on the Physics and Chemistry of SiO2 and the Si-SiO2 Interface

Toronto, Canada

May 15-18, 2000

Available on Infoscience
October 8, 2009
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/43412
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