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research article
Migration of oxygen vacancy in HfO2 and across the HfO2/SiO2 interface: A first-principles investigation
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.
Type
research article
Web of Science ID
WOS:000250810300060
Authors
Publication date
2007
Published in
Volume
91
Article Number
192905
Peer reviewed
REVIEWED
EPFL units
Available on Infoscience
October 8, 2009
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