ELECTRONIC-STRUCTURE OF MGO .2. RESULTS OF CALCULATIONS

被引：26

作者：

ABARENKOV, IV

ANTONOVA, IM

机构：

[1] Department of the Mathematical Institute, Academy of Sciences of the USSR

来源：

PHYSICA STATUS SOLIDI B-BASIC RESEARCH | 1979年 / 93卷 / 01期

关键词：

D O I：

10.1002/pssb.2220930137

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The method proposed in a previous paper is applied to the calculation of electronic structure of MgO. The first and the second nighbours are taken into account and well localized crystal orbitals of O2− are obtained. The results for the lattice constant, cohesive energy, and compressibility are in good agreement with the experiment. Copyright © 1979 WILEY‐VCH Verlag GmbH & Co. KGaA

引用

页码：315 / 323

页数：9

共 21 条

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