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A combined computer simulation and EXAFS study of dopant clustering in lanthanum oxide

 

作者: A.V. Chadwick,   G. Morrison,   R. Rafiuddin,  

 

期刊: Radiation Effects and Defects in Solids  (Taylor Available online 1995)
卷期: Volume 134, issue 1-4  

页码: 91-94

 

ISSN:1042-0150

 

年代: 1995

 

DOI:10.1080/10420159508227190

 

出版商: Taylor & Francis Group

 

关键词: Lanthanum oxide;computer modelling;EXAFS;dopant clusters

 

数据来源: Taylor

 

摘要:

Atomistic computer modelling and Extended X-ray Absorption Fine Structure (EXAFS) measurements were used in a study of the mode of solution of Sr2+ions in La2O3. The results are in agreement with previous modeling studies which show that the most favourable mode of solution is cation substitution with anion vacancy charge compensation. The energy of solution was found to be 1.3 eV. The Sr K-edge EXAFS results for 10 and 20 mole percent Sr2+doped La2O3were consistent with cation substitution. For both doped samples the EXAFS indicate the presence of a defect cluster containing 2SrLaions adjacent to a Vo.

 

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