Abstract
We present results of a survey, based on theoretical methods, of defect aggregation in non-stoichiometric, rock salt structured transition metal oxides, with special emphasis on the widely studied Fe1-xO phase. Calculations of the energies and entropies of defect formation and aggregation are presented. We consider both heavily defective phases, where we concentrate on the nature of the dominant type of cluster structure, and near stoichiometric compositions where our main concern is with the magnitude of the deviation from stoichiometry required for clustering to occur.
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© 1985 Plenum Press, New York
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Tomlinson, S.M., Catlow, C.R.A., Harding, J.H. (1985). Defect Clustering In Rock-Salt Structured Transition Metal Oxides. In: Simkovich, G., Stubican, V.S. (eds) Transport in Nonstoichiometric Compounds. NATO ASI Series, vol 129. Springer, Boston, MA. https://doi.org/10.1007/978-1-4613-2519-2_41
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DOI: https://doi.org/10.1007/978-1-4613-2519-2_41
Publisher Name: Springer, Boston, MA
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