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J. Korean Ceram. Soc. > Volume 60(2); 2023 > Article
Journal of the Korean Ceramic Society 2023;60(2): 310-330.
doi: https://doi.org/10.1007/s43207-022-00264-3
Microstructure, dielectric relaxation, optical, and ferroelectric studies of a lead-free double perovskite: BaLiFeMoO6
S. Mishra, R. N. P. Choudhary, S. K. Parida
Department of Physics, ITER, Siksha ‘O’ Anusandhan Deemed to be University, Bhubaneswar 751030, India
Correspondence  S. K. Parida ,Email: santoshparida@soa.ac.in
Received: August 12, 2022; Revised: October 10, 2022   Accepted: November 14, 2022.  Published online: December 7, 2022.
In this article, the influence of co-substitution of alkali and transition metals at the Ba/Mo site of host BaMoO4 (inorganic Scheelite) is reported. A new lead-free double perovskite BaLiFeMoO6 (BLFMO) is synthesized using a conventional solidstate reaction route, having tetragonal crystal symmetry with an average crystallite size of 93.2 nm and strain of 0.115%. Grains are grown by sintering and distributed uniformly through well-defined grain boundaries as obtained from scanning electron microscopy (SEM). The purity and compositional analysis through energy-dispersive analysis X-ray spectroscopy (EDX) technique confirms the presence of constituent elements Ba, Li, Fe, Mo, and O. Raman study supports the substitution of Li/Fe atoms at Ba and Mo sites in the host matrix. Direct bandgap energy of 2.99 eV is calibrated using the ultraviolet–visible (UV–Vis) spectrum; may be suitable for photovoltaic applications. Maxwell–Wagner dielectric response, non-Debye relaxation, activation energy, and negative temperature coefficient resistance (NTCR) behavior are the outcomes of the synthesized sample characterized using dielectric, impedance, modulus, and conductivity plots in a wider spectrum of frequency (1 kHz–1 MHz) and temperatures (25–500 °C). The contribution of both grains and grain boundaries in the conduction mechanism has been investigated using Nyquist's fitting data calibrated from ZSIMPWIN software. A decrease in the magnitude of grain boundary resistance with a rise in temperature in fitted Nyquist's plot suggests the presence of semiconducting nature in the material. Analysis of leakage current density suggests that the nature of the conduction mechanism follows to the space charge limited current process. The study of temperature-dependent resistance supports BLFMO as a good candidate for NTC thermistor-related device applications. The study of polarization–electric field hysteresis loop suggests the possibility of the ferroelectric nature in the studied sample.
Key words: BaLiFeMoO6 · Tetragonal phase · Bandgap energy · Non-Debye relaxation · NTC thermistor · Ferroelectric nature
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