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. Oxygen defects in amorphous Al2O3: A hybrid functional study
 
research article

Oxygen defects in amorphous Al2O3: A hybrid functional study

Guo, Zhendong  
•
Ambrosio, Francesco  
•
Pasquarello, Alfredo  
2016
Applied Physics Letters

The electronic properties of the oxygen vacancy and interstitial in amorphous Al2O3 are studied via ab initio molecular dynamics simulations and hybrid functional calculations. Our results indicate that these defects do not occur in amorphous Al2O3, due to structural rearrangements which assimilate the defect structure and cause a delocalization of the associated defect levels. The imbalance of oxygen leads to a nonstoichiometric compound in which the oxygen occurs in the form of O2- ions. Intrinsic oxygen defects are found to be unable to trap excess electrons. For low Fermi energies, the formation of peroxy linkages is found to be favored leading to the capture of holes. The relative +2/0 defect levels occur at 2.5 eV from the valence band. Published by AIP Publishing.

  • Files
  • Details
  • Versions
  • Metrics
Type
research article
DOI
10.1063/1.4961125
Web of Science ID

WOS:000383183600036

Author(s)
Guo, Zhendong  
Ambrosio, Francesco  
Pasquarello, Alfredo  
Date Issued

2016

Publisher

American Institute of Physics

Published in
Applied Physics Letters
Volume

109

Issue

6

Article Number

062903

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
CSEA  
Available on Infoscience
October 18, 2016
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/130360
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