Mn^(2+)/Eu^(3+)共掺杂Zn_(2)GeO_(4)长余辉基质材料发光机理的研究  

Luminescence mechanism studies on Mn;/Eu;co-doped Zn;GeO;long afterglow system

作　　者：吴成国 裴克梅[2] 何苏红 黄雁华 WU Cheng-Guo;PEI Ke-Mei;HE Su-Hong;HUANG Yan-Hua(Army Engineering University of PLA,Nanjing 211011,China;Zhejiang Sci-Tech University,Hangzhou 310000,China)

机构地区：[1]陆军工程大学,南京211011 [2]浙江理工大学,杭州310000

出　　处：《四川大学学报（自然科学版）》2021年第6期123-128,共6页Journal of Sichuan University(Natural Science Edition)

基　　金：国家自然科学基金(21673208);陆军工程大学基础学科培育基金(KYJBJQZL1910)。

摘　　要：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Mn^(2+)/Eu^(3+)共掺杂对Zn_(2)GeO_(4)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Mn^(2+)/Eu^(3+)共掺杂Zn_(2)GeO_(4)晶体结构模型.研究结果表明,Mn^(2+)掺杂使Zn_(2)GeO_(4)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Mn^(2+)离子成为发光中心;Eu离子在Zn_(2)GeO_(4)晶体以+3价存在,成为陷阱中心.在此基础上,我们构建了Mn^(2+)/Eu^(3+)共掺杂Zn_(2)GeO_(4)晶体长余辉发光机制模型.Using the first-principles method based on density functional theory,the luminescence mechanism of Mn^(2+)/Eu^(3+)co-doped Zn_(2)GeO_(4) long afterglow system was studied theoretically.The crystal structure model of Mn^(2+)/Eu^(3+)co-doped Zn_(2)GeO_(4) was constructed based on the experimental results of related literatures.The results show that Mn^(2+)doping makes the crystal structure of Zn_(2)GeO_(4) more stable,and at the same time,Mn^(2+)doping causes the charge delocalization in the crystal,Mn^(2+)ions become the luminescence centers;Eu ions exist in the Zn_(2)GeO_(4) crystal with valence of+3 and become the trap centers.On this basis above,the long afterglow luminescence mechanism model of Mn^(2+)/Eu^(3+)co-doped Zn_(2)GeO_(4) crystal system was discussed.

关 键 词：第一性原理方法 长余辉基质材料 发光机理 发光中心 陷阱中心 

分 类 号：O742.9[理学—晶体学]