Abstract
A LONG-STANDING problem concerning the structural properties of non-stoichiometric phases is the factor which determines whether point or extended defects are formed. We discuss this problem using results of exact lattice energy calculations. We find that cation relaxation plays a crucial role in stabilising extended defects; and we show that this explains an empirical correlation, established by Tilley1, between the dielectric properties and defect structure of non-stoichiometric compounds.
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CATLOW, C., JAMES, R. Non-stoichiometry and dielectric properties. Nature 272, 603–605 (1978). https://doi.org/10.1038/272603a0
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DOI: https://doi.org/10.1038/272603a0
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