DETERMINATION OF THE FLUORINE-FLUORINE POTENTIAL IN FLUOROPEROVSKITES AND PREDICTION OF PHONON-DISPERSION CURVES

被引：17

作者：

SALAUN, S

ROUSSEAU, M

机构：

[1] Equipe de Physique de l'Etat Condensé, U.R No. 807, Université du Maine, 72017 Le Mans Cedex, Av. O. Messiaen

来源：

PHYSICAL REVIEW B | 1995年 / 51卷 / 22期

关键词：

D O I：

10.1103/PhysRevB.51.15867

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A simple, unified form of the fluorine-fluorine interionic potential is deduced from the modelization of many fluoroperovskites through a rigid-ion model. The Born-Mayer potential appears to be the most convenient description (VF-F=λe-r/ρ with ρ=0.582 and λ=481 nm-1 A2). The short-range force constants deduced from this potential enabled the prediction of phonon-dispersion curves and density of states in perovskite-type compounds for which very few experimental data are available. © 1995 The American Physical Society.

引用

页码：15867 / 15872

页数：6

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