ELECTRIC-FIELD GRADIENT CALCULATIONS IN HEXAGONAL TUNGSTEN BRONZE TYPE FE3+ FLUORIDES - (H2O)0.33FEF3 AND ANHYDROUS FEF3

被引：2

作者：

LEDUE, D

TEILLET, J

机构：

[1] Lahorutoire de Mugnétisme Clt Applicutions, U.R.A., C.N.R.S.808, Fuculté Des Sciences, Mont-Saint-Aignan

来源：

PHYSICA STATUS SOLIDI B-BASIC RESEARCH | 1993年 / 179卷 / 01期

关键词：

D O I：

10.1002/pssb.2221790121

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The polarisable point-charge model is used to calculate the electric field gradient (EFG) tensor at the Fe site in the two compounds (H2O)0.33FeF3 and anhydrous FeF3. The results are consistent with experimental Mossbauer data for a fluorine polarizability of 8 x 10(-4) nm3. Calculations on (H2O)0.33 . FeF3 provide two very close quadrupole splittings (DELTAE(Q) = 0.62 and 0.65 mm s-1) whereas calculations on anhydrous FeF3 provide only one quadrupole splitting (DELTAE(Q) = -0.38 mm s-1).

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页码：201 / 205

页数：5

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