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Lattice Energy Determination for Polycrystalline Oxide Ceramics and Single-Crystalline Counterparts

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Abstract

The compositional dependence of lattice energies for polycrystalline specimens of spinel ferrite systems, Zn x Co1−x Fe2 O 4 (x = 0.0–0.6); slowly cooled and quenched systems of CuAl x Fe2−x O 4 (x = 0.0–0.6); high-energy ball milled mixed ferrite composition, Ni0.5Zn0.5Fe2 O 4 (0–9 h); garnet system, Y3−x Fe5 + x O 12 (x = 0.0–0.5); manganite perovskite system, La1−x Ca x MnO3 (x = 0.0–1.0); and superconducting systems, Bi1.7−x Pb0.3Al x Sr2Ca2Cu3 O 10 (x = 0.0–0.3), Bi1.7−x Pb0.3Ga x Sr2CaCu2 O 8 (x = 0.0–0.3), and Bi2Sr2CaCu2 O 8+0−−5 % Ag + addition has been evaluated, making use of mean sound velocity data and employing Kudriavtsev’s approach. It is found that for all the systems, lattice energy decreases, and it is explained based on the change in structural and microstructural parameters as a function of substitution. The lattice energies for single-crystalline counterparts have been computed using four different estimation models based on Kapustinskii method, molecular volume and X-ray density, connectivity indices, and chemical hardness. The observed difference between the two has been discussed in the light of grain and grain boundary contributions and presence of pores and microcracks in polycrystalline materials. A simple model suggested for lattice energy determination for complex oxide compositions based on the oxide additivity rule was found to be quite satisfactory.

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Acknowledgments

KBM is thankful to Professor P.L. Chauhan, Honorable Vice Chancellor of Saurashtra University, for his constant encouragement to carryout research activities; to UGC, New Delhi, for providing the financial assistance in the form of Major Research Project scheme, and to Ms. Pooja Y. Raval for her help in the computational work.

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  1. Department of Physics, Saurashtra University, Rajkot, 360 005, India

    Kunal B. Modi

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  1. Kunal B. Modi
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Modi, K.B. Lattice Energy Determination for Polycrystalline Oxide Ceramics and Single-Crystalline Counterparts. J Supercond Nov Magn 29, 2287–2297 (2016). https://doi.org/10.1007/s10948-016-3591-2

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