Structural, Optical and Dielectric Properties of Sm2NiMnO6 Double Perovskite Nanoparticles
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Abstract
Sm2NiMnO6 (SNMO) double perovskite was successfully synthesized via a sol–gel auto-combustion route followed by a post-combustion double sintering process to achieve phase purity and improved crystallinity. Rietveld refinement of PXRD data confirms the formation of a monoclinic structure with space group P21/n, indicating ordered arrangement of Ni2+ and Mn4+ cations at the B-site. Structural analysis reveals significant octahedral distortion, supported by a tolerance factor of ~ 0.923 and deviation of the Ni-O-Mn bond angle from 180°. Raman and FTIR studies further validate the formation of NiO6 and MnO6 octahedra and confirm lattice distortions at the local scale. FE-SEM analysis shows a nanostructured morphology consisting of agglomerated grains with noticeable porosity, which plays a crucial role in governing the dielectric behavior. Optical studies using UV-Vis diffuse reflectance spectroscopy indicate a direct allowed band gap of ~1.41 eV, suggesting potential applicability in optoelectronic and photovoltaic devices. The dielectric response of SNMO exhibits strong frequency dispersion in the range 5 kHz-1 MHz and temperature range 30-120 °C. The dielectric constant decreases with increasing frequency, while it increases significantly with temperature, particularly at low frequencies, reaching values as high as ~2.1 × 104 at 5 kHz and 120 °C. This behavior is attributed to interfacial polarization arising from grain boundaries and pores, consistent with the Maxwell-Wagner model. The loss tangent also shows a similar trend, indicating increased conduction losses at elevated temperatures. At higher frequencies, the dielectric response stabilizes, reflecting intrinsic polarization mechanisms. The overall results demonstrate that the dielectric properties of SNMO are strongly influenced by its microstructure, with a transition from extrinsic to intrinsic behavior with increasing frequency.
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