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  4. Migration of oxygen vacancy in HfO2 and across the HfO2/SiO2 interface: A first-principles investigation
 
research article

Migration of oxygen vacancy in HfO2 and across the HfO2/SiO2 interface: A first-principles investigation

Capron, N.
•
Broqvist, P.  
•
Pasquarello, Alfredo  
2007
Applied Physics Letters

Oxygen vacancy migration is studied in monoclinic HfO2 and across its interface with SiO2 through density functional calculations. In HfO2, long-range diffusion shows activation barriers of 2.4 and 0.7 eV for the neutral and doubly positively charged vacancy, respectively. In the latter case, the migration preferentially occurs along one-dimensional pathways. A HfO2/SiO2 interface model is constructed to address O vacancy migration across high-kappa gate stacks. The vacancy is shown to stabilize in its neutral charge state upon entering the SiO2 layer.

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Type
research article
DOI
10.1063/1.2807282
Web of Science ID

WOS:000250810300060

Author(s)
Capron, N.
Broqvist, P.  
Pasquarello, Alfredo  
Date Issued

2007

Publisher

AIP American Institute of Physics

Published in
Applied Physics Letters
Volume

91

Article Number

192905

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/20.500.14299/43517
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