Electronic structure of 3d-metal impurities in silicon oxynitride

被引：2

作者：

Yurieva, ÉI ^{[1
]}

Ivanovskii, AL ^{[1
]}

机构：

[1] Russian Acad Sci, Ural Branch, Inst Solid State Phys, Ekaterinburg, Russia

来源：

JOURNAL OF STRUCTURAL CHEMISTRY | 2001年 / 42卷 / 02期

关键词：

D O I：

10.1023/A:1010430327613

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The electronic structure and nature of chemical bonding in orthorhombic Si2N2O with substitution impurities (all 3d-atoms) in the cation sublattice have been investigated by the self-consistent ab initio discrete variation method. Consistent changes in the energy structure, interatomic interaction parameters, effective atomic charges, and local moments of substitution 3d-impurities in. the series under study are discussed.

引用

页码：165 / 171

页数：7

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