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Oxidation‐Reduction and the Major Type of Ionic Disorder in α=AI 2 O 3
Author(s) -
KRÖGER F. A.
Publication year - 1983
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.1151-2916.1983.tb10539.x
Subject(s) - ionic bonding , enthalpy , oxygen , thermodynamics , crystallographic defect , chemistry , acceptor , doping , materials science , computational chemistry , crystallography , ion , physics , condensed matter physics , optoelectronics , organic chemistry
The oxidation‐reduction constants of AI 2 O 3 :Ti and AI 2 O 3 are derived from experimental data on the basis of models with aluminum vacancies or oxygen interstitials as dominant species. Reasonable agreement between the experimental values of the enthalpies involved and published theoretical values are found in both cases. Combination with the enthalpies of oxidation determined from acceptor‐doped AI 2 O 3 leads to values of the enthalpy of disorder for the four possible mechanisms. All agree equally well with computed values. Published microstructure studies point to Frenkel disorder of oxygen as the dominant ionic disorder mechanism. Empirical potentials used in theoretical computations appear to be preferable to nonempirical ones, at least for computations related to oxygen defects.