The phonon dispersion relations of K₂ZnF₄ are analyzed by lattice dynamical rigid ion and shell model calculations. It is shown that the concept of crystal-independent interionic potentials is applicable for this non-cubic substance. There is a structural unit in the tetragonal perovskitetype layer material K₂ZnF₄ in common with the cubic perovskite KZnF₃, namely the ZnF₆ octahedra. The influence of the crystalline environment on the lattice dynamical behaviour of this structural unit is studied by comparison of the phonon dispersion relations of both materials.

Abstract

Die Phononendispersion von K₂ZnF₄ wird mit Hilfe von Starre-Ionen- bzw. Schalenmodellrechnungen analysiert. Dabei zeigt sich, daß das Konzept der kristallunabhängigen interionischen Potentiale auch für diese nichtkubischen Kristalle anwendbar ist. Der tetragonale, perovskitartige Schichtkristall K₂ZnF₄ besitzt ebenso wie der Perovskit KZnF₃ einen ZnF₆-Oktaeder als strukturelle Untereinheit. Der Vergleich der Phononendispersionsrelationen beider Materialien läßt daher auf den Einfluß der kristallinen Umgebung auf das gitterdynamische Verhalten des Oktaeders schließen.

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Volume127, Issue1

1 January 1985

Pages 55-65

Crystal-Independent Interionic Potentials and the Lattice Dynamics of the Perovskite-Type Layer Material K₂ZnF₄

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Crystal-Independent Interionic Potentials and the Lattice Dynamics of the Perovskite-Type Layer Material K2ZnF4

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Crystal-Independent Interionic Potentials and the Lattice Dynamics of the Perovskite-Type Layer Material K₂ZnF₄