Effect of Mn doping on the electronic structure of ZnGa2O4 with spinel-type structure

被引：0
|
作者：
Nonaka, M
Tanizaki, T
Matsushima, S
Mizuno, M
Xu, CN
机构：
[1] Kyushu Univ, Dept Earth Resources Engn, Higashi Ku, Fukuoka 8128581, Japan
[2] Kitakyushu Natl Coll Technol, Dept Chem Mat, Kokuraminami Ku, Kitakyushu, Fukuoka 8020985, Japan
[3] Osaka Univ, Dept Mat Sci & Engn, Suita, Osaka 5650871, Japan
[4] Natl Inst Adv Ind Sci & Technol AIST, Tosu, Saga 8410052, Japan
来源：
CHEMISTRY LETTERS | 2001年 / 07期
关键词：
D O I：
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中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The electronic structures of ZnGa2O4 and ZnGa2O4:Mn are calculated by the discrete variational X alpha method on model clusters. For ZnGa2O4, it is found that Zn-O and Ga-O bondings are not perfectly ionic but partially covalent. When a central Zn atom of the cluster is replaced with a Mn atom, the new energy states originating from Mn 3d orbitals appear in the energy gap. The energy levels of t(2) up-spin states and e down-spin states seem to relate to the green emission.
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页码：664 / 665
页数：2
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