Concentration growth of luminescence intensity of phosphor Zn 2-2x Mn 2x SiO 4 (х ≤ 0.13): Crystal-chemical and quantum-mechanical justification

Abstract In the present study, the willemite-based Zn2-2xMn2xSiO4 solid solution has been produced by the high-temperature solid-state reaction. The powder samples were characterized by X-ray diffraction, UV–vis spectroscopy and optical emission spectroscopy. A monotonic increase in the luminescence intensity is observed with a growth of the Mn content, but not exceeding x = 0.13. The absence of concentration quenching of luminescence below this limit is explained by stochastic arrangement of the dopant atoms, which is confirmed by crystallographic data. Basic trends in distribution of Mn ions within the willemite lattice and electronic properties were validated by means of DFT calculations. Homogenous distribution of photoactive substituent ion is a key feature in the design of luminescent materials.