Chemical Physics Letters, Vol.667, 9-14, 2017
Structure and optical properties of KLa9(GeO4)(6)O-2 and KLa8.37Eu0.63(GeO4)(6)O-2
New KLa9(GeO4)(6)O-2 and KLa8.37Eu0.63(GeO4)(6)O-2 germanates with the apatite structure type (space group P6(3)/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)(6)O-2 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 D-5(0) and D-5(1) levels in europium ion. (C) 2016 Elsevier B.V. All rights reserved.
Keywords:Germanates;Rare earth elements;Density functional theory;Diffuse reflectance spectroscopy;Luminescence