Premium
Atomistic Simulation of High‐ T c Oxides
Author(s) -
Allan Neil L.,
Mackrodt William C.
Publication year - 1990
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.1151-2916.1990.tb06433.x
Subject(s) - crystal structure , materials science , crystal chemistry , lattice (music) , bipolaron , crystallography , oxygen , condensed matter physics , chemistry , polaron , physics , electron , organic chemistry , quantum mechanics , acoustics
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.