Abstract
This study proposes a method for the final phase control of KGdF4 crystals for the first time, based on a chemical synthesis and structural phase transition process with increased temperature. X-ray diffraction and high-resolution transmission electron microscopy were employed to characterize the resulting structures and reveal phase transition trends. Subsequently, a theoretical phase transition model was constructed. This model indicated that final products are obtained through a combination of chemical synthesis and structural phase transition. Furthermore, it was observed that the chemical synthesis process dominates the low-temperature region, whereas the structural phase transition process dominates the high-energy region because of the additional extra energy. Finally, the density of states was theoretically calculated using the first-principle theory, shedding light on the structural phase transition process. This study, therefore, provides a potentially controllable method for the synthesis of desired KGdF4 crystal phases.
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Funding
This work was supported by the National Natural Science Foundation of China (No. 11574164), 111 Project (No. B07013), PCSIRT (IRT_13R29). We would like to thank Editage https://www.editage.cn/ for English language editing.
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Liu, J., Yu, H., Zhang, L. et al. Controlling the final phase of multiphase KGdF4 materials via chemical synthesis and structural phase transition. J Mater Sci: Mater Electron 31, 18096–18104 (2020). https://doi.org/10.1007/s10854-020-04360-0
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DOI: https://doi.org/10.1007/s10854-020-04360-0