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Order‐Disorder Transition in (A′A″)BO 3 and A(B′B″)O 3 Complex Perovskite Crystals
Author(s) -
Gui Hong,
Gu Binglin,
Zhang Xiaowen
Publication year - 1996
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.1151-2916.1996.tb08132.x
Subject(s) - coulomb , valence (chemistry) , ion , charge (physics) , charge ordering , perovskite (structure) , condensed matter physics , chemistry , interaction energy , order (exchange) , crystallography , atomic physics , physics , quantum mechanics , electron , molecule , finance , economics
A criterion of ordering was given in an earlier paper for A(B′B′″)O 3 crystals with B′ and B″ ions having a charge difference. It has been extended in this paper to (A′A″)BO 3 crystals and to the cases where the cations have the same valence. The formulae of the effective interaction energy parameter J in (A′A″)BO 3 and A(B′B″)O 3 are deduced separately, considering the interaction between ions to be a sum of the Coulomb interaction and Lennard‐Jones overlap interaction. When the charge difference Δ q ¦ 0, the Coulomb energy difference between the ordered and disordered states caused by the charge difference is the main driving force of ordering. When Δ q = 0, the overlap interaction term becomes important.