XRD and Raman study on crystal structures and dielectric properties of Ba[Mg(1−x)/3ZrxNb2(1−x)/3]O3 solid solutions

Abstract Ba[Mg (1− x )/3 Zr x Nb 2(1− x )/3 ]O 3 (BMZN, x =0, 0.05, 0.1, 0.15) solid solution ceramics were synthesized via conventional solid-state reactions. Crystal structures were studied using X-ray diffraction, and vibrational modes were investigated using Raman spectroscopy. Crystal symmetry increased with increasing Zr 4+ content, with a transformation from a hexagonal to a cubic structure observed. For BMZN ceramics, oxygen octahedron distortion occurred where x =0.05, and the ordered phase changed from 1:2 to 1:1. The dielectric constant had a positive correlation with the full width at half maximum (FWHM) of the A 1g (O) phonon mode, and the Raman shift of the A 1g (Nb) mode. The dielectric constant had an inverse correlation with the Raman shift of the A 1g (O) phonon mode. The temperature coefficient of capacitance had an inverse correlation with the Raman shift of the A 1g (Nb) mode, and the dielectric loss had an inverse correlation with the FWHM of the A 1g (Nb) mode.