Atomistic lattice simulations are reported of the normalstate crystal properties of high‐ T c oxides. Nonstoichiometry in La 2 CuO 4 and Nd 2 CuO 4 associated with oxygen interstitial defects is examined in some detail. The lattice structure and defect chemistry of Ca 2 CuO 3 , Sr 2 CuO 3 , La 2 SrCu 2 O 6 , and Sr 2 CuO 4 are also considered. Finally, Jahn‐Teller effects and bipolaron formation are addressed in relation to high‐ T c behavior.
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Allan et al. (1990) studied this question.
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