ATOMISTIC SIMULATION OF HIGH-TC OXIDES

被引:20
作者
ALLAN, NL [1 ]
MACKRODT, WC [1 ]
机构
[1] ICI CHEM & POLYMERS LTD, RUNCORN WA7 4QD, CHESHIRE, ENGLAND
关键词
lattice; oxides; structure; superconductors;
D O I
10.1111/j.1151-2916.1990.tb06433.x
中图分类号
TQ174 [陶瓷工业]; TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
Atomistic lattice simulations are reported of the normalstate crystal properties of high‐Tc oxides. Nonstoichiometry in La2CuO4 and Nd2CuO4 associated with oxygen interstitial defects is examined in some detail. The lattice structure and defect chemistry of Ca2CuO3, Sr2CuO3, La2SrCu2O6, and Sr2CuO4 are also considered. Finally, Jahn‐Teller effects and bipolaron formation are addressed in relation to high‐Tc behavior. Copyright © 1990, Wiley Blackwell. All rights reserved
引用
收藏
页码:3175 / 3184
页数:10
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