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research article

Atomic-scale modelling of the Si(100)-SiO2 interface

Giustino, F.
•
Bongiorno, A.
•
Pasquarello, Alfredo  
2005
Physics of Semiconductors, Pts a and B

We discuss the structural, electronic and dielectric properties of a model structure of the Si(100)-SiO2 interface that accounts for the amorphous nature of the oxide. After showing that the structural properties of this model are consistent with a variety of experimental data, we consider the variation of the valence and conduction band edges across the interface. Our calculations indicate that the width of the electronic structure transition from the substrate to the oxide is 0.7-0.8 nm. We also address the dielectric properties based on an atomic-scale approach, and provide estimates for the effective dielectric constants of the substrate, the suboxide, and the stoichiometric oxide regions.

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Type
research article
Web of Science ID

WOS:000230723900180

Author(s)
Giustino, F.
Bongiorno, A.
Pasquarello, Alfredo  
Date Issued

2005

Published in
Physics of Semiconductors, Pts a and B
Volume

772

Start page

423

End page

426

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
CSEA  
Available on Infoscience
October 8, 2009
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/43481
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