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. Infrared spectra at surfaces and interfaces from first principles: Evolution of the spectra across the Si(100)-SiO2 interface
 
research article

Infrared spectra at surfaces and interfaces from first principles: Evolution of the spectra across the Si(100)-SiO2 interface

Giustino, Feliciano  
•
Pasquarello, Alfredo  
October 25, 2005
Physical Review Letters

We introduce a general scheme for calculating from first principles both the transverse-optical and longitudinal-optical infrared absorption spectra at surfaces or interfaces. A spatial decomposition of the spectra gives the evolution of the infrared activity across the considered system. Application to ultrathin oxides on silicon yields infrared spectra which reproduce the observed redshift of the high-frequency peaks for decreasing oxide thicknesses. This effect is shown to arise from the lengthening of the Si-O bonds in the substoichiometric oxide at the interface.

  • Files
  • Details
  • Versions
  • Metrics
Loading...
Thumbnail Image
Name

PhysRevLett.95.187402.pdf

Type

Main Document

Version

Published version

Access type

openaccess

License Condition

N/A

Size

196.77 KB

Format

Adobe PDF

Checksum (MD5)

9a2a19620213c3d261d1d93ee799349a

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