Investigations on the role of doped 3d transition ions in Li2B4O7 glasses: Local structures, spectroscopic properties and optical basicities

Abstract

Glasses with doped transition metal ions (TMs) have shown specific spectroscopic properties, but the micro-mechanism is hard to be obtained due to the amorphous structure. Based on the high order perturbation formulae of electron paramagnetic resonance (EPR) parameters, the local environment of 3d ions (V4+, Cr3+, Mn2+ and Cu2+) in Li2B4O7 glasses is studied to explain the experimental EPR spectra. The spectroscopic properties of Li2B4O7 glasses are closely correlated with the doped 3d ions, which can be reasonably predicted from the transition bands of divided energy orbitals. The crucial optical basicities of Li2B4O7 glasses doped with different TMs are also investigated, which are consistent with the above calculation results with respect to the local environment. The results show that TMs doping can be an effective way to modify the intrinsic properties of glasses.