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. Conferences, Workshops, Symposiums, and Seminars
  4. Model interface between silicon and disordered SiO2
This is not the latest version of this item. The latest version can be found here.
 
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.

  • Details
  • Versions
  • Metrics
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