Dopant-modified local chemical bonding at a grain boundary in SrTiO3

被引：30

作者：

Tanaka, I ^{[1
]}

Nakajima, T ^{[1
]}

Kawai, J ^{[1
]}

Adachi, H ^{[1
]}

Gu, H ^{[1
]}

Ruhle, M ^{[1
]}

机构：

[1] MAX PLANCK INST MET RES,D-70174 STUTTGART,GERMANY

来源：

PHILOSOPHICAL MAGAZINE LETTERS | 1997年 / 75卷 / 01期

关键词：

D O I：

10.1080/095008397179877

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The chemical bonding at a grain boundary of an Fe3+-doped SrTiO3 bicrystal has been determined by a combination of spatially resolved electron energy-loss spectroscopy and a first-principles molecular-orbital calculation. The near-edge structure of the O K-edge spectrum on the boundary shows that the manner of the TiO6 linkage is different from that in the bulk SrTiO3. The linkage changes locally from a corner-sharing to an edge-sharing configuration at the same time as the removal of Sr2+ ions from the boundary. This type of theoretical calculation is demonstrated to be a powerful tool for analysing the ELNES spectra without preconceived models.

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页码：21 / 27

页数：7

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