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- W2319339739 abstract "The G0-Rb2KTiOF5 single crystals with dimensions up to nearly a centimeter in size have been prepared by slow solidification method. The elpasolite-related crystal structure of G0-Rb2KTiOF5 has been refined by Rietveld method at T = 298 K (space group Fm3̅m, Z = 4, a = 8.880(1) Å, V = 700.16(2) Å3; RB = 2.66%). The wide optical transparency range of 0.25–9 μm and forbidden band gap of Eg = 3.87 eV have been obtained for the G0-Rb2KTiOF5 crystal. Dominating photoluminescence bands at 3.36 and 2.33 eV are related to free and self-trapped excitons, respectively. The electronic structure of G0-Rb2KTiOF5 has been evaluated by X-ray photoelectron spectroscopy and calculated with the first-principles methods. A good agreement between theoretical and experimental results has been achieved. Chemical bonding effects have been discussed for all metal ions using binding energy difference parameters and a wide comparison with related oxides and fluorides. The competition between O2– and F– ions for metal valence electrons has been found." @default.
- W2319339739 created "2016-06-24" @default.
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- W2319339739 date "2013-03-28" @default.
- W2319339739 modified "2023-10-14" @default.
- W2319339739 title "Structural, Spectroscopic, and Electronic Properties of Cubic G0-Rb<sub>2</sub>KTiOF<sub>5</sub> Oxyfluoride" @default.
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- W2319339739 doi "https://doi.org/10.1021/jp401391y" @default.
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