THE ELECTRONIC-STRUCTURE OF COPPER-OXIDE CRYSTALLINE COMPOUNDS .1. LUC-CNDO APPROACH TO THE ELECTRONIC-STRUCTURE OF CU2O AND CUO CRYSTALS

被引：19

作者：

EVARESTOV, RA

VERYAZOV, VA

机构：

来源：

PHYSICA STATUS SOLIDI B-BASIC RESEARCH | 1990年 / 157卷 / 01期

关键词：

D O I：

10.1002/pssb.2221570129

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

LUC‐CNDO computation scheme and its valence theory applications are discussed. Electronic structure calculations of well‐known semiconductors Cu2O are reviewed. The parameters of CNDO scheme for copper–oxygen compounds are calibrated using the results of Cu2O band theory calculations and experimental data. Copyright © 1990 WILEY‐VCH Verlag GmbH & Co. KGaA

引用

页码：281 / 291

页数：11

共 21 条

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