THE ELECTRONIC-STRUCTURE OF COPPER-OXIDE CRYSTALLINE COMPOUNDS .2. CHEMICAL BONDING IN COPPER OXYGEN CRYSTALS

被引：18

作者：

EVARESTOV, RA

VERYAZOV, VA

机构：

来源：

PHYSICA STATUS SOLIDI B-BASIC RESEARCH | 1990年 / 158卷 / 01期

关键词：

D O I：

10.1002/pssb.2221580119

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The crystalline structure of copper‐oxygen compounds with copper atom in the oxidation states I, II, and III is reviewed. A calculation is made of the electronic structure of the row of crystals with copper‐oxygen bonding. It is shown that the covalence effects are essential for copper oxide compounds containing copper atoms in oxydation states CuII and CuIII LUC‐CNDO calculations of La2CuO4 and YBa2Cu3Ox (x = 6,7) crystals are made. It is concluded that the higher copper valency is favourable for superconductivity. Copyright © 1990 WILEY‐VCH Verlag GmbH & Co. KGaA

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页码：201 / 212

页数：12

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