摘要
利用第一性原理的局域密度近似(LDA)方法,对Zn_2GeO_4,Mn^(2+)掺杂Zn_2GeO_4,Mn^(2+)、Mn^(4+)共掺杂Zn_2GeO_4的光电性质进行了理论研究.结果表明,Mn^(2+)、Mn^(4+)掺杂可以提高Zn_2GeO_4的载流子浓度,从而改善Zn_2GeO_4的导电性.Mn^(2+)离子的掺杂导致Zn_2GeO_4对光的吸收由紫外区域扩展到可见光区域,Mn^(2+)、Mn^(4+)共掺杂促进Zn_2GeO_4晶体对可见光的吸收能力大幅增加,因此Mn^(2+)、Mn^(4+)共掺杂Zn_2GeO_4可以用于制备高效率的光催化剂和发光材料.
Using the first principle of local density approximation （LDA） method, the photoelectric properties of Zn2GeO4, Mn2＋ doped ZnEGeO4, Mn2＋ , Mn4＋ Co -doped Zn2GeO4 were studied. The results show that Mn2＋ and Mn4＋ doping can improve the carrier concentration of Zn2 GeO4 and enhance the conductivity of Zn2 GeO4. 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. There- fore, Mn2＋ and Mn4＋ Co -doped ZnzGeO4 can be used to prepare high efficiency photo catalyst and luminescent materials.
出处
《原子与分子物理学报》
北大核心
2017年第4期739-744,共6页
Journal of Atomic and Molecular Physics
