Mechanism of Interstitial Oxygen Diffusion in Hafnia
نویسندگان
چکیده
منابع مشابه
Mechanism of interstitial oxygen diffusion in hafnia.
We have performed density functional calculations of oxygen incorporation and diffusion in monoclinic hafnia (HfO2) for a range of oxygen charge states. The calculations demonstrate that oxygen favors atomic incorporation and that O2- is the most stable species. We find that oxygen interstitials diffuse via exchange with lattice oxygen sites in hafnia, and that O- species have the smallest diff...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2002
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.89.225901