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- W4308485008 endingPage "104846" @default.
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- W4308485008 abstract "The spinel-type ZnGa2O4 transparent ceramic with extremely wide infrared transmission range exhibited great potential applications in numerous fields. Based on the comparative study with MgAl2O4 and ZnAl2O4, the optical properties of ZnGa2O4 transparent ceramic in the entire wavelength range from ultraviolet to infrared were theoretically investigated by first-principles calculations. With the in-depth understanding of crystal, electronic, phonon structures and chemical bonding, the origin of the variations in the optical properties was clarified. Due to the inherent 3d10 electronic configuration in both Zn and Ga, the significant p-d hybridization between Zn/Ga 3d states and O 2p states resulted in a smaller band gap and a higher refractive index of ZnGa2O4. The weaker tetrahedral Zn-O bond led to ZnGa2O4 considerably broaden its infrared transmission range. The easily formed oxygen vacancy defect coupled with the intrinsic narrow band gap may provide opportunities for new functionalization of ZnGa2O4 transparent ceramic. The comprehensive insight also offers guidance for designing novel transparent ceramics with desired optical properties." @default.
- W4308485008 created "2022-11-12" @default.
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- W4308485008 date "2023-03-01" @default.
- W4308485008 modified "2023-09-30" @default.
- W4308485008 title "Theoretical insight into optical properties of ZnGa2O4 transparent ceramic" @default.
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- W4308485008 doi "https://doi.org/10.1016/j.mtcomm.2022.104846" @default.
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