Defective structure of the ThFe0.2Sn2 and PrFe0.4Sn2 compounds

被引：5
|
作者：
Spataru, T
Manfrinetti, P
Palenzona, A
Blaha, P
Fornasini, ML
Principi, G
机构：
[1] Univ Padua, INFM, I-35131 Padua, Italy
[2] Univ Padua, Settore Mat, Dipartimento Ingn Meccan, I-35131 Padua, Italy
[3] Univ Genoa, INFM, I-16146 Genoa, Italy
[4] Univ Genoa, Dipartimento Chim & Chim Ind, I-16146 Genoa, Italy
[5] Vienna Tech Univ, Inst Phys & Theoret Chem, Vienna, Austria
[6] Univ Genoa, Dipartimento Chim & Chim Ind, I-16146 Genoa, Italy
来源：
INTERMETALLICS | 2002年 / 10卷 / 05期
关键词：
intermetallics; miscellaneous; electronic structure; calculation; spectroscopic methods; various;
D O I：
10.1016/S0966-9795(02)00014-6
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The defective structure of the PrFe0.4Sn2 and ThFe0.2Sn2 compounds has been studied by Fe-57 and Sn-119 Mossbauer spectroscopy, first-principle and binomial distribution calculations. It is shown that the iron and tin sites display different local interactions of atoms located in the same structural position of the defective structure. The analysis of the obtained data together with the theoretical calculations show that defect formation in the samples has a thermal origin. The experimental and theoretical data show that the studied defective structure is locally ordered. (C) 2002 Elsevier Science Ltd. All rights reserved.
引用
收藏
页码：423 / 427
页数：5
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