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
收藏
页码：165 / 171
页数：7
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