%0 Journal Article
%T Mn2+、Mn4+共掺杂Zn2GeO4电子结构和光学性质的第一性原理的研究<br>The electronic and optical properties of Zn2GeO4 co-doped with Mn2+、Mn4+ by using DFT
%A 吴成国
%A 武文远
%A 周晓兰
%A 刘传刚
%A 戴斌飞
%J 原子与分子物理学报
%D 2017
%X 利用第一性原理的局域密度近似（LDA）方法, 对Zn2GeO4, Mn2+掺杂Zn2GeO4，Mn2+、Mn4+共掺杂Zn2GeO4的光电性质进行了理论研究。结果表明，Mn2+、Mn4+掺杂可以提高Zn2GeO4的载流子浓度，从而改善Zn2GeO4的导电性。Mn2+离子的掺杂导致Zn2GeO4对光的吸收由紫外区域扩展到可见光区域， Mn2+、Mn4+共掺杂促进Zn2GeO4晶体对可见光的吸收能力大幅增加，因此Mn2+、Mn4+共掺杂Zn2GeO4可以用于制备高效率的光催化剂和发光材料。<br>Using the first principle of local density approximation (LDA) method, the photoelectric properties of Zn2GeO4, Mn2+ doped Zn2GeO4, Mn2+, Mn4+ Co-doped Zn2GeO4 were studied. The results show that Mn2+ and Mn4+ doping can improve the carrier concentration of Zn2GeO4 and improve the conductivity of Zn2GeO4. The doping of Mn2+ ions leads to the absorption of light from the ultraviolet region to the visible region. The Mn4+ and Mn2+ Co-doped Zn2GeO4 crystal can be used to increase the absorption capacity of Zn2GeO4. Therefore, Mn2+ and Mn4+ Co-doped Zn2GeO4 can be used to prepare high efficiency photo catalyst and luminescent materials.
%K Mn2+、Mn4+共掺杂Zn2GeO4
%K 第一性原理
%K 电子结构
%K 光学性质&lt
%K br&gt
%K Zn2GeO4 codoped with Mn2+-Mn4+
%K first-principles
%K electronic structure
%K optical properties
%U http://jamp.ijournals.cn/jamp/ch/reader/view_abstract.aspx?file_no=15249&flag=1