Analysis of crystal-field effect on luminescence spectra of Mn⁴⁺ (3d³) ion-doped double perovskite La₂ZnTiO₆ phosphor by semiempirical computations: exchange charge model and superposition model

Abstract

Herein, a systematic microscopic investigation of the crystal-field (CF) effects on Mn 4+ ions doped at triclinic sites in the double perovskite La 2 ZnTiO 6 crystal was performed using two independent modelling approaches based on CF theory: the exchange charge model and the superposition model.