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Journal of Materials Science: Materials in Electronics
Published in: Journal of Materials Science: Materials in Electronics 4/2017

01-11-2016

Investigation and theoretical calculation of the lattice vibrational spectra of BaZrO3 ceramic

Authors: Feng Shi, Helei Dong, Qin Liu, Jun Yang, Shihao Ren, Haiqing Sun, Jijun Xiong

Published in: Journal of Materials Science: Materials in Electronics | Issue 4/2017

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Abstract

BaZrO3 ceramic was synthesized by the conventional solid-state reaction method. The crystal structures were studied via X-ray diffraction, and lattice vibrational modes were obtained via Raman and Fourier transform far-infrared reflection spectroscopy. The results show that the BaZrO3 ceramic has a cubic perovskite structure. The Raman spectrum was fitted by the Lorentzian function, and the vibrators were assigned. The far-infrared spectrum with active modes was fitted using the four-parameter semiquantum models. Consequently, the modes were assigned as F 1u (1) (122 cm−1), F 1u (2) (215 cm−1) and F 1u (3) (531 cm−1). The Raman vibrator A 1g , which has the highest wavenumber, is dominated by the breath vibration of the ZrO6 octahedron. Infrared modes F 1u (1) and F 1u (2) have the most contributions to the dielectric properties.
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Metadata
Title
Investigation and theoretical calculation of the lattice vibrational spectra of BaZrO3 ceramic
Authors
Feng Shi
Helei Dong
Qin Liu
Jun Yang
Shihao Ren
Haiqing Sun
Jijun Xiong
Publication date
01-11-2016
Publisher
Springer US
Published in
Journal of Materials Science: Materials in Electronics / Issue 4/2017
Print ISSN: 0957-4522
Electronic ISSN: 1573-482X
DOI
https://doi.org/10.1007/s10854-016-5944-9

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