Abstract

Raman scattering spectra and elastic constants of KPb2Cl5 crystals have been studied. The results obtained are interpreted in terms of the ab initio lattice dynamics model taking into account multipole moments of ionic electron envelopes. The experimental results have been found to be in good agreement with numerical simulation; the narrow phonon spectra are shown to be due to a considerable contribution of heavy cations into the eigenvectors of the higher frequency lattice modes. (© 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)

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