Inducing luminescent properties of Mn4+ in magnesium titanate systems: An experimental and theoretical approach.

Magnesium titanates (including three main phases, Mg 2 TiO 4 , MgTiO 3 and MgTi 2 O 5 ) and Mn 4+ doped magnesium titanates were successfully prepared in a simple route. Mn 4+ occupied octahedral positions to substitute Ti 4+ in the magnesium titanates host lattice. The absorption bands at 400–600 nm assigned to the d-d band transition of Mn 4+ had difference in three systems, which were strongly influenced by local crystal field environments. In this work, the samples doped Mn 4+ showed the difference in emission peak positions, attributing to the 2 E g → 4 A 2g emission process of Mn 4+ . Crystal field strength of host material and Mn O nephelauxetic nature of the Mn 4+ -doped magnesium titanates (Mg 2 TiO 4 :Mn 4+ , MgTiO 3 :Mn 4+ and MgTi 2 O 5 :Mn 4+ ) influenced on the photoluminescent properties, which was demonstrated through the combination with density functional theory (DFT) and experimental method. These results suggested that Mn 4+ doped Mg 2 TiO 4 material had high color purity, which was a promising material for red phosphor in attractive white-light LEDs application. This research is very useful because it could rapidly predicted the luminescent property of new Mn 4+ doped materials through DFT calculation. [ABSTRACT FROM AUTHOR]