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Crystal structure and phonon modes of ilmenite‐type NaBiO 3 investigated by Raman and infrared spectroscopies

2009; Wiley; Volume: 41; Issue: 6 Linguagem: Inglês

10.1002/jrs.2496

1097-4555

Anderson Dias, Roberto L. Moreira,

Multiferroics and related materials

Abstract NaBiO 3 is an ilmenite‐type compound presenting a trigonal structure. In this work, we have performed optical spectroscopic investigations using Raman scattering and infrared reflectivity for this material. By using group‐theory calculations, it was possible to determine the number of optically active modes. Fitting procedures besides Kramers–Kronig (KK) procedures lead to a consistent collection of phonon modes. The Raman spectrum showed nine active first‐order modes, while the infrared one revealed eight polar phonons, in good agreement with the theoretical predictions. The results allowed us to confirm the R 3 (#148) space group for this compound, and to establish a set of active phonons not yet reported in the literature. Copyright © 2009 John Wiley & Sons, Ltd.