Rietveld refinement and dielectric relaxation of a new rare earth based double perovskite oxide: BaPrCoNbO6

Abstract

A new rare earth based double perovskite oxide barium praseodymium cobalt niobate, BaPrCoNbO6 (BPCN) is synthesized by solid-state reaction technique. Rietveld analysis of X-ray diffraction (XRD) data shows that the compound crystallizes in a perovskite like tetragonal structure which belongs to the I4/mmm space group with lattice parameters a=b=5.6828(9)Å, c=8.063(2)Å. Structural analysis reveals 1:1 ordered arrangement for the Co2+ and Nb5+ cations over the six-coordinate B-sites of BPCN. The superlattice line (101) at 2θ=19.10° arising from the alternate ordering of Co2+ and Nb5+ sites is observed in the XRD pattern which confirms the presence of cation ordering in BPCN. Fourier transform infrared spectrum shows two phonon modes of the sample due to the antisymmetric NbO6 stretching vibration. The relaxation dynamics of the conductive process in BPCN is investigated in the temperature range 303 to 503K and in the frequency range 100Hz to 1MHz using impedance spectroscopy. The relaxation mechanism of the sample in the framework of electric modulus formalism is modeled by Davidson–Cole model (DCM). The values of α (distribution of relaxation time) for the DCM varies from 0.1 to 0.3 which suggests the asymmetric distribution of relaxation time for BPCN. The activation energy of the sample, calculated from both conductivity and modulus spectra, are found to be almost the same ~0.4eV, which indicates that the conduction mechanism for BPCN is polaron hopping. The scaling behaviour of the imaginary part of electric modulus suggests that the relaxation follows the same mechanism at various temperatures.