The prediction of correlation factors and motion energies for diffusion of transition metal ions in CoO and NiO

We use atomistic modelling methods to predict correlation factors and motion energies for the diffusion of impurity ions in CoO and NiO. These use the shell model, and include the effects of impurity-vacancy binding, the temperature dependence of the extent of non-stoichiometry, and the explicit cal...

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Veröffentlicht in:	Philosophical magazine. A, Physics of condensed matter. Defects and mechanical properties Physics of condensed matter. Defects and mechanical properties, 1990-11, Vol.62 (5), p.473-486
Hauptverfasser:	Harding, J. H., Sangster, M. J. L., Stoneham, A. M., Tarento, R.-J.
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter: structure, mechanical and thermal properties Diffusion in solids Diffusion of impurities Exact sciences and technology Physics Transport properties of condensed matter (nonelectronic)
Online-Zugang:	Volltext
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