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
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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