ATOMISTIC STUDY OF POLARONS IN YBA2CU3O7

被引：9

作者：

BAETZOLD, RC

机构：

[1] Corporate Research Laboratories, Eastman Kodak Company, Rochester, New York

来源：

JOURNAL OF THE AMERICAN CERAMIC SOCIETY | 1990年 / 73卷 / 11期

关键词：

defects; impurities; models; polarons; superconductors;

D O I：

10.1111/j.1151-2916.1990.tb06434.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：

Simulation techniques are applied to the orthorhombic YBa2Cu3O7 crystal in order to describe possible polaron and bipolaron species in the crystal. Perfect crystal properties are fitted well with a two‐ and three‐body potential model. The O− polaron state is significantly stabilized by the presence of holes in the CuO plane. A bipolaron O2−2 is slightly stable on the O4 and O2 or O3 lattice ion sites of oxygen. The oxidation reaction leading to O− and involving Cu+ and oxygen vacancies is exothermic. Copyright © 1990, Wiley Blackwell. All rights reserved

引用

收藏

页码：3185 / 3188

页数：4

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