Mn2+/ Eu3+共掺杂Zn2GeO4长余辉基质材料发光机理的研究

本文利用基于密度泛函理论的第一性原理方法，从理论角度研究了Mn2+/ Eu3+共掺杂对Zn2GeO4长余辉基质材料光学性能调制的机理. 根据相关文献实验结果，我们构建了Mn2+/ Eu3+共掺杂对Zn2GeO4晶体结构模型. 研究结果表明，Mn2+掺杂使Zn2GeO4晶体结构更加稳定，同时会引起晶体中的电荷离域化，从而使Mn2+离子成为发光中心；Eu离子在Zn2GeO4晶体以+3价存在，成为陷阱中心. 在此基础上，我们构建了Mn2+/ Eu3+共掺杂Zn2GeO4晶体长余辉发光机制模型.

Luminescence mechanism studies on Mn2+/Eu3+ co-doped Zn2GeO4 long afterglow system

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.