The anion disorder in the perovskite fluoride KCaF3

被引：27

作者：

Demetriou, DZ

Catlow, CRA

Chadwick, A ^{[1
]}

McIntyre, GJ

Abrahams, I

机构：

[1] Univ Kent, Sch Phys Sci, Canterbury CT2 7NH, Kent, England

[2] UCL, Dept Chem, London WC1H 0AJ, England

[3] Royal Inst Great Britain, London W1X 4BS, England

[4] Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France

[5] Univ London, Dept Chem, Struct Chem Grp, London E1 4NS, England

来源：

SOLID STATE IONICS | 2005年 / 176卷 / 17-18期

关键词：

perovskite; KCaF(3); neutron diffraction; ionic conduction;

D O I：

10.1016/j.ssi.2005.04.041

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 aim of this work was to understand the nature of high conductivity of the perovskite fluoride KCaF(3). A series of experiments were carried out using single crystal neutron diffraction. Fourier maps reveal a high degree of anisotropy in the F(-) ion vibrations. Comparison is made between harmonic and anharmonic models for thermal vibration. The results show that KCaF(3) is a straightforward structure with a low concentration of defects. There is no significant occupation of interstitial sites and it is likely that the high conductivity is due to a small population of highly mobile vacancies. A model for the conduction mechanism is discussed. (c) 2005 Elsevier B.V. All rights reserved.

引用

页码：1571 / 1575

页数：5

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