原子与分子物理学报2017，Vol.34Issue(4)：739-744,6.DOI:10.3969/j.issn.1000-0364.2017.04.024
Mn2+、Mn4+共掺杂Zn2GeO4电子结构和光学性质的第一性原理的研究
Studies of the electronic and optical properties of Zn2GeO4 co-doped with Mn2+ and Mn4+ by using DFT
吴成国 1武文远 1周晓兰 1刘传刚 1戴斌飞1
作者信息
- 1. 解放军理工大学理学院, 南京 211101
- 折叠
摘要
Abstract
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 enhance 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.关键词
Mn2+/Mn4+共掺杂Zn2GeO4/第一性原理/电子结构/光学性质Key words
Zn2GeO4 codoped with Mn2+-Mn4+/First-principles/Electronic structure/Optical properties分类
数理科学引用本文复制引用
吴成国,武文远,周晓兰,刘传刚,戴斌飞..Mn2+、Mn4+共掺杂Zn2GeO4电子结构和光学性质的第一性原理的研究[J].原子与分子物理学报,2017,34(4):739-744,6.
