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Defect Equilibria in Transition Metal Oxides
Author(s) -
CATLOW C. R. A.,
STONEHAM A. M.
Publication year - 1981
Publication title -
journal of the american ceramic society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.9
H-Index - 196
eISSN - 1551-2916
pISSN - 0002-7820
DOI - 10.1111/j.1151-2916.1981.tb10275.x
Subject(s) - vacancy defect , diffusion , materials science , chemical physics , transition metal , metal , range (aeronautics) , thermodynamics , chemistry , crystallography , metallurgy , physics , biochemistry , composite material , catalysis
This paper assesses the importance of vacancy aggregates in transition metal oxides. It presents the predictions of quantitative atomistic calculations and discusses them in relation to observed structural, diffusion, thermodynamic, and other data. The results indicate that vacancy complexes constitute the major defect species at high nonstoichiometry. The commonly discussed vacancy‐hole complexes appear to be unimportant except, perhaps, over a very limited composition range.