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HomeSolid State PhenomenaSolid State Phenomena Vol. 230Synthesis, Crystal Structure, Luminescence and...

Synthesis, Crystal Structure, Luminescence and Electronic Band Structure of K₂BiZr(PO₄)₃ Phosphate Compound

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Abstract:

The single crystals of langbeinite-related K₂BiZr(PO₄)₃ have been obtained for the first time by spontaneous crystallization method from K-Zr-P-O-F molten system. The compound crystallizes in a space group P2₁3 with cell parameter a = 10.30360 Å. The framework is built up from isolated Bi/ZrO₆ octahedra connected together by PO₄ units. For the two K⁺ cations two types of oxygen coordination numbers 9 and 12 are observed. The photoluminescence (PL) spectroscopy studies of K₂BiZr(PO₄)₃ are carried out under the VUV synchrotron excitations. The electronic structure of K₂BiZr(PO₄)₃ crystal is calculated by the FLAPW method. The PL spectra reveal two main components in the UV and visible spectral regions (peaking near 3.6 and 2.7 eV respectively). It is assumed that the UV PL component of K₂BiZr(PO₄)₃ originates from transitions in ZrO₆ polyhedra, while the visible one is related to Bi³⁺ ions in oxygen coordination.

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Solid State Phenomena (Volume 230)

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55-61

DOI:

https://doi.org/10.4028/www.scientific.net/SSP.230.55

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Online since:

June 2015

Authors:

Vitalii Chornii*, Yuriy Hizhnyi, Sergiy G. Nedilko, Kateryna Terebilenko, I. Zatovsky, Ivan Ogorodnyk, Volodymyr Boyko

Keywords:

Electronic Structure, Langbeinite, Luminescence, Synchrotron Radiation

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* - Corresponding Author

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