期刊
VACUUM
卷 181, 期 -, 页码 -出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.vacuum.2020.109603
关键词
ZnO; Rare earth elements; DFT; Ferromagnetism; Optoelectronic devices; Solar cells
资金
- Department of Science and Technology SERB (CRG DST-SERB, New Delhi India) [CRG/2018/000009]
A comparative study of wurtzite ZnO doped by rare earth elements (Tm, Yb, Ce) which have been investigated using density functional theory implemented in Wien2K code. The structural parameters were calculated by PBEso1 functional and in good agreement with the experimental data. The electronic and optical properties were determined by TB-mBJ potential. The rare earth elements doped ZnO have a significant impact on the optoelectronic and magnetic properties which mainly arise due to the presence of 4f electrons. The electronic structure shows that the doping of Tm, Yb, Ce on pristine ZnO has increased the band gap, the Fermi level has been shifted to the conduction band, revealing n-type characters. Electrical conductivity has been calculated using BoltzTrap code. It has been observed that the conductivity is improved after doping. Our results provide the basis for future research in (Tm, Yb, Ce) doped ZnO compounds used as integrated optoelectronic devices, solar cells and spintronic applications.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据