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Article

Structural Details of BaTiO3 Nano-Powders Deduced from the Anisotropic XRD Peak Broadening

National Institute of Materials Physics, 405A Atomistilor Street, 077125 Magurele, Romania
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Academic Editor: Yiannis Deligiannakis
Nanomaterials 2021, 11(5), 1121; https://doi.org/10.3390/nano11051121
Received: 25 March 2021 / Revised: 16 April 2021 / Accepted: 22 April 2021 / Published: 26 April 2021
(This article belongs to the Special Issue Ferroic Nanomaterials: From Synthesis to Applications)
In this study, nano-BaTiO3 (BTO) powders were obtained via the solvothermal method at different reaction times and were investigated using transmission electron microscopy (TEM), X-ray diffraction (XRD) and Raman spectroscopy. The results were compared with those obtained for a larger crystallite size BTO powder (BTO-m). The sizes of the cuboid crystallites (as determined by XRD and TEM) ranged from about 18 to 24 nm, depending on the reaction time. The evolution with temperature of the structure parameters of nano-BTO was monitored by means of X-ray diffraction and Raman spectroscopy and no signs of phase transition were found up to 170 °C. Careful monitoring of the dependence of the XRD peak widths on the hkl indices showed that the effect of the cubic crystallite shape upon the XRD peak widths was buried by the effect of hidden tetragonal line splits and by anisotropic microstrain. The good correlation of the line widths with the tetragonal split amplitudes, observed especially for BTO-m above the transition temperature, indicates tetragonal deformations, as also revealed by Raman spectroscopy. The large anisotropic microstrain shown by the nano-powders, which had a maximum value in the <100> directions, was considered evidence of the phenomenon of surface relaxation of cubic crystallites edged by {100} faces. The observed behavior of the nano-BTO structures with increasing temperature may suggest a correlation between the surface relaxation and tetragonal deformation in the nano-cubes. The experimental results for both nano-BTO and mezoscale-BTO are in agreement with the core-shell model. View Full-Text
Keywords: nano-BaTiO3; size and strain anisotropy; surface relaxation; tetragonal deformation; temperature-dependent XRD and Raman measurements nano-BaTiO3; size and strain anisotropy; surface relaxation; tetragonal deformation; temperature-dependent XRD and Raman measurements
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MDPI and ACS Style

Pasuk, I.; Neațu, F.; Neațu, Ș.; Florea, M.; Istrate, C.M.; Pintilie, I.; Pintilie, L. Structural Details of BaTiO3 Nano-Powders Deduced from the Anisotropic XRD Peak Broadening. Nanomaterials 2021, 11, 1121. https://doi.org/10.3390/nano11051121

AMA Style

Pasuk I, Neațu F, Neațu Ș, Florea M, Istrate CM, Pintilie I, Pintilie L. Structural Details of BaTiO3 Nano-Powders Deduced from the Anisotropic XRD Peak Broadening. Nanomaterials. 2021; 11(5):1121. https://doi.org/10.3390/nano11051121

Chicago/Turabian Style

Pasuk, Iuliana, Florentina Neațu, Ștefan Neațu, Mihaela Florea, Cosmin M. Istrate, Ioana Pintilie, and Lucian Pintilie. 2021. "Structural Details of BaTiO3 Nano-Powders Deduced from the Anisotropic XRD Peak Broadening" Nanomaterials 11, no. 5: 1121. https://doi.org/10.3390/nano11051121

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