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

Ba[Mg(1−x)/3ZrxNb2(1−x)/3]O3 (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 Zr4+ 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 A1g(O) phonon mode, and the Raman shift of the A1g(Nb) mode. The dielectric constant had an inverse correlation with the Raman shift of the A1g(O) phonon mode. The temperature coefficient of capacitance had an inverse correlation with the Raman shift of the A1g(Nb) mode, and the dielectric loss had an inverse correlation with the FWHM of the A1g(Nb) mode.