Repository logo

Infoscience

  • English
  • French
Log In
Logo EPFL, École polytechnique fédérale de Lausanne

Infoscience

  • English
  • French
Log In
  1. Home
  2. Academic and Research Output
  3. Journal articles
  4. Structurally relaxed models of the Si(001)-SiO2 interface
 
research article

Structurally relaxed models of the Si(001)-SiO2 interface

Pasquarello, Alfredo  
•
Hybertsen, M. S.
•
Car, R.
1996
Applied Physics Letters

We present a first-principles investigation of the structural properties of two models for the Si(001)-SiO2 interface. The models derive from attaching tridymite, a crystalline form of SiO2, to Si(001), and then allowing for full relaxation. These models do not show electronic states in the silicon gap, as required by electrical experiments. They contain the three intermediate oxidation states of silicon, consistent with photoemission experiments. We study bond length and bond angle distributions and measures of local strain. The strain is localized to a transition region at the interface. Strain does not persist in the full oxide. (C) 1996 American Institute of Physics.

  • Details
  • Metrics
Type
research article
DOI
10.1063/1.116489
Author(s)
Pasquarello, Alfredo  
Hybertsen, M. S.
Car, R.
Date Issued

1996

Published in
Applied Physics Letters
Volume

68

Issue

5

Start page

625

End page

627

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/20.500.14299/43380
Logo EPFL, École polytechnique fédérale de Lausanne
  • Contact
  • infoscience@epfl.ch

  • Follow us on Facebook
  • Follow us on Instagram
  • Follow us on LinkedIn
  • Follow us on X
  • Follow us on Youtube
AccessibilityLegal noticePrivacy policyCookie settingsEnd User AgreementGet helpFeedback

Infoscience is a service managed and provided by the Library and IT Services of EPFL. © EPFL, tous droits réservés