Electronic and optical properties of the doped TiO2 system

被引：4
作者：
Zhao Wei [1 ]
Wang Mei [1 ,2 ]
Su Xiyu [1 ]
Wang Yachao [1 ]
Li Zhenyong [1 ]
机构：
[1] Qufu Normal Univ, Coll Phys & Engn, Qufu 273165, Peoples R China
[2] Henan Univ, Key Lab Special Funct Mat, Minist Educ, Kaifeng 475004, Peoples R China
来源：
JOURNAL OF SEMICONDUCTORS | 2010年 / 31卷 / 07期
基金：
中国国家自然科学基金;
关键词：
anatase TiO2; doping; electronic structure; optical properties;
D O I：
10.1088/1674-4926/31/7/072001
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
By the total energy pseudo-potential approach of plane wave, we study the electronic and optical properties of the anatase TiO2 systems with Sc-doped, oxygen vacancies included, and Sc and oxygen vacancies co-existing, respectively. The obtained results show that the contribution by the doped Sc lies mainly in the valence band, and the light absorption in the visible region is obvious. A Mott phase transformation takes place in the presence of oxygen vacancies, and the light absorption in the visible region is also obvious. In particular, the absorption in the visible region of the co-doped system is enhanced coherently due to the influences both from doped Sc and oxygen vacancies.
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收藏
页数：4
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