Theoretical analysis of formation of defects in hafnia

Theoretical analysis of formation of defects in hafnia Quasichemical equations describing the dependences of the number density of defects formed in HfO2 by the Schottky, Frenkel, and anti-Frenkel mechanisms as a function of the partial pressure of oxygen and the temperature are derived and solved. Equations describing chemical disordering in the ion and electron subsystems and equations describing the processes of ionization of defects in oxides are derived for ZrO2 and HfO2 as an example. The theoretical data obtained can be used for deriving equations for calculating the number density of defects in HfO2 in any range of temperature and pressure. Results of an experimental test of the derived disordering equations by means of a precision thermomassometric method are presented. An evaluation has shown that the value of the deviation in HfO2 from index 2 amounts to about 0.0002 from the fraction O2. It is assumed that three-dimensional diffusion of oxygen by Ginstling’s equation is the limiting stage of the decrease in the mass. Refractories and Industrial Ceramics Springer Journals

Theoretical analysis of formation of defects in hafnia

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Springer US
Copyright © 2000 by Kluwer Academic/Plenum Publishers
Chemistry; Characterization and Evaluation of Materials; Materials Science; Ceramics, Glass, Composites, Natural Methods
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