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- W2036656598 abstract "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 diffusion barrier." @default.
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- W2036656598 date "2002-11-12" @default.
- W2036656598 modified "2023-09-27" @default.
- W2036656598 title "Mechanism of Interstitial Oxygen Diffusion in Hafnia" @default.
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- W2036656598 doi "https://doi.org/10.1103/physrevlett.89.225901" @default.
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