Rietveld refinement and dielectric relaxation of a new rare earth based double perovskite oxide: BaPrCoNbO{sub 6}

Journal Article · Sat Feb 15 00:00:00 EST 2014 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/J.JSSC.2013.11.024· OSTI ID:22274218

Bharti, Chandrahas ^[1]; Das, Mrinmoy K.; Sen, A. ^[1]; Chanda, Sadhan; Sinha, T. P. ^[2]

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1. Sensor and Actuator Division, CSIR-Central Glass and Ceramic Research Institute, 196, Raja SC Mullick Road, Kolkata 700032 (India)
2. Department of Physics, Bose Institute, 93/1, Acharya Prafulla Chandra Road, Kolkata-700009 (India)

A new rare earth based double perovskite oxide barium praseodymium cobalt niobate, BaPrCoNbO{sub 6} (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 Co{sup 2+} and Nb{sup 5+} cations over the six-coordinate B-sites of BPCN. The superlattice line (1 0 1) at 2θ=19.10° arising from the alternate ordering of Co{sup 2+} and Nb{sup 5+} 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 NbO{sub 6} stretching vibration. The relaxation dynamics of the conductive process in BPCN is investigated in the temperature range 303 to 503 K and in the frequency range 100 Hz to 1 MHz 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 ∼0.4 eV, 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. - Graphical abstract: Rietveld refinement plot for BPCN. Inset shows the schematic presentation of the BPCN tetragonal unit cell. The Co{sup 2+} atoms are located at the centers of the CoO{sub 6} (blue) octahedra. The Nb{sup 5+} atoms are located at the centers of the NbO{sub 6} (green) octahedra. Display Omitted - Highlights: • BaPrCoNbO{sub 6} is synthesized for the first time. • Rietveld refinement of XRD data confirms tetragonal phase. • XRD confirms the presence of cation ordering in BaPrCoNbO{sub 6}. • The activation energy is ∼0.4 eV. • The conduction mechanism for BPCN is due to polaron hopping.

• OSTI ID: 22274218
• Journal Information: Journal of Solid State Chemistry, Vol. 210, Issue 1; Other Information: Copyright (c) 2013 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
36 MATERIALS SCIENCE
ACTIVATION ENERGY
BARIUM
CATIONS
DIELECTRIC MATERIALS
DIELECTRIC PROPERTIES
FOURIER TRANSFORMATION
INFRARED SPECTRA
LATTICE PARAMETERS
NIOBATES
PEROVSKITE
PRASEODYMIUM
RELAXATION TIME
SOLIDS
SPACE GROUPS
SPECTROSCOPY
SUPERLATTICES
TEMPERATURE RANGE
TETRAGONAL LATTICES
X-RAY DIFFRACTION