Comments on the defect chemistry of magnesium-doped lithium niobate (LiNbO3)

Autor(en): Donnerberg, H
Stichwörter: ATOMISTIC COMPUTER-SIMULATIONS; CENTERS; Chemistry; Chemistry, Inorganic & Nuclear; Chemistry, Physical; CRYSTALS; EXTRINSIC DEFECTS; INTRINSIC DEFECTS; MGO; MODEL; YTTRIUM-IRON-GARNET
Erscheinungsdatum: 1996
Herausgeber: ACADEMIC PRESS INC JNL-COMP SUBSCRIPTIONS
Journal: JOURNAL OF SOLID STATE CHEMISTRY
Volumen: 123
Ausgabe: 2
Startseite: 208
Seitenende: 214
Zusammenfassung: 
Congruently grown LiNbO3 is known to be highly defective due to its significant Li2O deficiency. At present two stoichiometry-related defect-chemical models are discussed which can be distinguished with respect to the occurrence of Li or Nb vacancies, The Nb-vacancy model takes advantage of ilmenite-structured LiNbO3 and predicts a niobium antisite concentration being at least five times as large as in the Li-vacancy model, In the present contribution it is argued that the magnesium-doping mechanisms are essentially independent of these particular differences. It is argued that extended stoichiometry-related defect clusters represent a key for a proper understanding of the defect chemistry of impurity cations, The discussion is mainly based on our recent shell-model simulations of perfect and defective LiNbO3. (C) 1996 Academic Press, Inc.
ISSN: 00224596
DOI: 10.1006/jssc.1996.0170

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