Structural and spectroscopic characterization of a new series of Ba2RE2Ge4O13 (RE = Pr, Nd, Gd, and Dy) and Ba2Gd2−xEuxGe4O13 tetragermanates

• Published in: Dalton transactions : an international journal of inorganic chemistry 2021-08, Vol.50 (31), p.10935-10946
• Main Authors: Lipina, Olga A, Surat, Ludmila L, Alexander Yu Chufarov, Tyutyunnik, Alexander P, Enyashin, Andrey N, Baklanova, Yana V, Chvanova, Anastasia V, Leonid Yu Mironov, Belova, Ksenia G, Zubkov, Vladimir G
• Format: Article
• Language: English
• Subjects: Aluminum; Crystal lattices; Crystallography; Density functional theory; Dimers; Dysprosium; Gadolinium; Germanates; Light emitting diodes; Mathematical analysis; Monoclinic lattice; Parameters; Phosphors; Praseodymium; Quantum efficiency; Room temperature; Solid solutions; Stability analysis; Structural analysis; Substrates; Thermal analysis; Thermal stability; Thermodynamic properties; Unit cell; X ray powder diffraction
• ISSN: 1477-9226; 1477-9234
• DOI: 10.1039/d1dt01780b

A new series of Ba2RE2Ge4O13 (RE = Pr, Nd, Gd, Dy) germanates and Ba2Gd2−xEuxGe4O13 (x = 0.1–0.8) solid solutions have been synthesized using the solid-state reaction technique and characterized by X-ray powder diffraction. All compounds crystallize in the monoclinic system, space group C2/c, Z = 4. The crystal lattice consists of RE2O12 dimers, zigzag C2-symmetric [Ge4O13]10− tetramers, and ten-coordinated Ba atoms located in voids between polyhedra. The density-functional theory (DFT) calculations performed on a rich set of Ba2RE2Ge4O13 compounds have confirmed the high thermodynamic stability of monoclinic modification. Under ultraviolet (UV) light excitation Ba2Gd2−xEuxGe4O13 phosphors exhibit an orange-red emission corresponding to the characteristic f–f transitions in Eu3+ ions. The highest intensity of lines at 580 nm (5D0 → 7F0), 582–602 nm (5D0 → 7F1), 602–640 nm (5D0 → 7F2), 648–660 nm (5D0 → 7F3), and 680–715 nm (5D0 → 7F4) is observed for the samples with x = 0.4–0.6. The possibility of their application has been assessed by studying their color characteristics, quantum efficiency, and thermal stability. The obtained data indicate that Ba2Gd2−xEuxGe4O13 solids can be considered as promising materials for UV-excited phosphor-converted light-emitting diodes (LEDs) if an aluminum nitride substrate (λex = 255 nm) is used as a semiconductor chip.