Article ID Journal Published Year Pages File Type
5378466 Chemical Physics Letters 2017 6 Pages PDF
Abstract

•The crystal structure of KLa9(GeO4)6O2 and KLa8.37Eu0.63(GeO4)6O2 is reported.•The electronic structure of the compounds has been resolved using DFT calculations.•The luminescence properties of KLa8.37Eu0.63(GeO4)6O2 have been studied.

New KLa9(GeO4)6O2 and KLa8.37Eu0.63(GeO4)6O2 germanates with the apatite structure type (space group P63/m, Z = 1) have been synthesized by the sol-gel method using ethylenediaminetetraacetic acid as a precursor and characterized by powder X-ray diffraction, scanning electron microscopy and diffuse reflectance spectroscopy. Density functional theory calculations reveal that KLa9(GeO4)6O2 is a direct bandgap material, and near-UV excitation leads to the electronic transitions from the O2p- orbitals to the Lad- and K4s- states. Photoluminescence measurements of the Eu3+-doped sample indicate emission in the visible spectral range corresponding to the characteristic transitions from the excited 5D0 and 5D1 levels in europium ion.

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Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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