A3A′3Zn6Te4O24 (A = Na, A′ = rare earth) garnets: A-site ordered noncentrosymmetric structure, photoluminescence, and Na-ion conductivity
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Date
2021-11-16
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Publisher
American Chemical Society
Abstract
A large number of oxides that adopt the centrosymmetric (CS) garnet-type structure (space group Ia3̅d) have been widely studied as promising magnetic and host materials. Hitherto, no noncentrosymmetric (NCS) garnet has been reported yet, and a strategy to NCS garnet design is therefore significant for expanding the application scope. Herein, for the series A3A′3Zn6Te4O24 (A = Na, A′ = La, Eu, Nd, Y, and Lu), we demonstrated that the structural symmetry evolution from CS Ia3̅d (A′ = La) to NCS I4122 (A′ = Eu, Nd, Y, and Lu) could be achieved due to the A-site cationic ordering-driven inversion symmetry breaking. Na3A′3Zn6Te4O24 (A′ = rare earth) are the first garnets that possess NCS structures with A-site cationic ordering. Diffuse reflectance spectra and theoretic calculations demonstrated that all these NCS garnets are indirect semiconductors. Moreover, their potential applications as host materials for red phosphors and Na-ion conductors were also investigated in detail, which firmly confirmed the NCS structure and A-site cationic ordering. Our findings have paved the way to design NCS or even polar garnets that show intriguing functional properties, such as ferroelectricity, multiferroicity, and second harmonic generation. © 2021 American Chemical Society
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Keywords
Crystal structure, Cations, Oxides, Diffraction, Chemical properties, Garnets, Semiconductor materials
Citation
Fang, Z., Jiang, P., Avdeev, M., Wei, H., Wang, R., Jiang, X., & Yang, T. (2021). A3A′3Zn6Te4O24 (A = Na, A′ = rare earth) garnets: A-site ordered noncentrosymmetric structure, photoluminescence, and Na-ion conductivity. Inorganic Chemistry, 60(23), 18168–18177. doi:10.1021/acs.inorgchem.1c02815