Abstract:Using the first-principles method based on density functional theory, the luminescence mechanism of Mn2+/ Eu3+ co-doped Zn2GeO4 long afterglow system was studied theoretically. The crystal structure model of Mn2+/ Eu3+ co-doped Zn2GeO4 was constructed based on the experimental results of related literatures. Studies show that Mn2+ doping makes the crystal structure of Zn2GeO4 more stable, and at the same time, it causes the charge delocalization in the crystal, Mn2+ ions become the luminescence centers; Eu ions exist in the Zn2GeO4 crystal with valence of +3 and become the trap centers. On this basis above, the long afterglow luminescence mechanism model of Mn2+/ Eu3+ co-doped Zn2GeO4 crystal system was discussed.