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Defect Clusters in Nonstoichiometric 3 d Transition‐Metal Monoxides
Author(s) -
GRIMES ROBIN W.,
ANDERSON ALFRED B.,
HEUER ARTHUR H.
Publication year - 1986
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.1151-2916.1986.tb04819.x
Subject(s) - transition metal , crystallography , materials science , non blocking i/o , zinc , chemistry , metallurgy , biochemistry , catalysis
The energies of defect clusters In Mn 1–x O, Fe 1–x O. Co 1–x O, and Ni 1–x ,O have been calculated using molecular orbited theory. The results indicate that (i) relatively large extended defects of a zinc blende type coordination are stable in MnO and FeO, (ii) only small defects are stable in CoO, and (iii) no defect structures are stable in NiO.