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Part B: Condensed Matter Physics

A normal coordinate analysis of AMoO4 crystals (A = Sr, Ba and Pb)

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Pages 208-220 | Received 28 Feb 2013, Accepted 25 Sep 2013, Published online: 25 Oct 2013
 

Abstract

In this paper, we report on the lattice dynamical investigation of the Raman and the infrared frequencies of the tetragonal AMoO4 (A = Sr, Ba and Pb) crystals obtained by normal coordinate analysis. The calculation of zone centre phonons has been made by using four stretching and five bending force constants. The calculated Raman and infrared wavenumbers are in very good agreement with the observed ones. The comparison of experimental and theoretical values for BaMoO4 has resulted in creating a benchmark for both Raman and infrared modes in case of AMoO4 (A = Sr, Ba and Pb) crystals. The potential energy distribution has also been investigated for determining the significance of contribution from each force constant towards the Raman and the infrared frequencies.

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