Electronic Structure and Optical Properties of Co and Fe Doped ZnO

Chun Ping Li; Ge Gao; Xin Chen

doi:10.4028/www.scientific.net/JNanoR.43.23

Paper Titles

Synthesis and Characterization of Silver Nanoparticles Using Azadirachta indica Leaf Extract and their Anti-Fungal Activity against Malassezia species
p.1

Development of Graphenated Polyamic Acid Sensors for Electroanalytical Detection of Anthracene
p.11

Electronic Structure and Optical Properties of Co and Fe Doped ZnO
p.23

Synthesis of N-Alkyl-N,N-Dimethyl Quaternized Chitosan and its Application as Effective Absorbents towards Reactive Dye KN-R
p.29

Enhancement in Curie Temperature with Magnesium Substituted in Sintered Mg_xMn_1-xFe₂O₄ Pellets of Nanopowders
p.38

Mechanical Properties and Thermal Resistance of Natural Rubber Nanocomposite Reinforced with Quaternized Polyvinyl Alcohol/Silica Nanoclusters
p.46

Visible Light Triggered Chlorhexidine Release of Nitrogen-Doped TiO₂ Nanoparticle Dental Desensitizer
p.57

The Role of Polyhexamethylene Biguanide and Silver Nanoparticle Interaction in the Fabrication of Novel Antibacterial Bio-Fibers Using Silk Wastage
p.63

Preparation and Characterization of Bacterial Cellulose/TiO₂Hydrogel Nanocomposite
p.73

HomeJournal of Nano ResearchJournal of Nano Research Vol. 43Electronic Structure and Optical Properties of Co...

Electronic Structure and Optical Properties of Co and Fe Doped ZnO

Abstract:

First-principle ultrasoft pseudo potential approach of the plane wave based on density functional theory (DFT) has been used for studying the electronic characterization and optical properties of ZnO and Fe, Co doped ZnO. The results show that the doping impurities change the lattice parameters a little, but bring more changes in the electronic structures. The band gaps are broadened by doping, and the Fermi level accesses to the conduction band which will lead the system to show the character of metallic properties. The dielectric function and absorption peaks are identified and the changes compared to pure ZnO are analyzed in detail.

You might also be interested in these eBooks

View Preview

Info:

Periodical:

Journal of Nano Research (Volume 43)

Pages:

23-28

DOI:

https://doi.org/10.4028/www.scientific.net/JNanoR.43.23

Citation:

Cite this paper

Online since:

September 2016

Authors:

Chun Ping Li*, Ge Gao, Xin Chen

Keywords:

Electronic Structure, First-Principle, Optical Properties, ZNO

Export:

RIS, BibTeX

Price:

Permissions CCC:

Request Permissions

Permissions PLS:

Request Permissions

Сopyright:

Citation:

* - Corresponding Author

References

[1] Gao Xiaoqi, Guo Zhiyou, et al., The electronic structure and optical properties of Al-N codoped ZnO, Chinese Journal of Luminescence, 31, 4 (2010) 509-514.

Google Scholar

[2] P. Palacios, K. Sánchez, P. Wahnón, Ab-initio valence band spectra of A1, In doped ZnO, Thin Solid Films, 517 (2009) 2448-2451.

DOI: 10.1016/j.tsf.2008.11.037

Google Scholar

[3] E. Burstein. Anomalous optical absorption limit in InSb, Phys. Rev, 93 (1954) 632-633.

DOI: 10.1103/physrev.93.632

Google Scholar

[4] Duan Man-Yi, Xu Ming, Zhou Hai-Ping et al., First-principles study on the electronic structure and optical properties of ZnO doped with transition metal and N. ACTA PHYSICA SINICA, 56, 9(2007) 5359-5365.

Google Scholar

[5] Y. Xu, B. Yao, Y.F. Li, Z.H. Ding, J.C. Li, et al., Chemical states of gold doped in ZnO films and its effect on electrical and optical properties, Journal of Alloys and Compounds, 585 (2014) 479-484.

DOI: 10.1016/j.jallcom.2013.09.199

Google Scholar

[6] Cheng Xing-Wang, Li Xiang, Gao Yuan-Ling, Yu Zhou, Long Xue, Liu Ying, Synthesis and magnetic, optical properties of Co doped ZnO room-temperature ferromagnetic semiconductor, Acta Phys. Sin., 58, 3 (2009) 2018-(2022).

DOI: 10.7498/aps.58.2018

Google Scholar

[7] S Sain, J Bhattacharjee, M Mukherjee, et al., Microstructural, magnetic and optical characterizations of nanocrystalline Zn1−xMnxO dilute magnetic semiconductors synthesized by mechanical alloying, Journal of Alloys & Compounds, 519, 4 (2012).

DOI: 10.1016/j.jallcom.2011.12.132

Google Scholar

[8] QixinWan, ZhihuaXiong, JiangnanDai, et al., First-principles study of Ag-based p-type doping difficulty in ZnO, Optical Materials, 30 (2008) 817-821.

DOI: 10.1016/j.optmat.2007.02.051

Google Scholar

[9] Chunping Li, Li Zhang, Changjie Liu, Ge Gao, Exciton localization and stimulated emission of ZnO nanorods, Key Engineering Materials, 538 (2013) 161-164.

DOI: 10.4028/www.scientific.net/kem.538.161

Google Scholar

[10] J. Zhang , K.L. Yao, Z.L. Liu, G.Y. Gao, First principles calculations of Co-doped zinc-blende ZnO magnetic semiconductor, Physica B 405 (2010) 1447-1451.

DOI: 10.1016/j.physb.2009.11.001

Google Scholar

[11] Chunping Li, Xin Chen, Baolin Zhang, First-principle Study on Electronic Structure and Optical Properties of Au, N Co-doped ZnO, Materials Review, 29, 2 (2015) 159-162.

Google Scholar

[12] Yanlu Li, Xian Zhao and Weiliu Fan, Structural, Electronic, and Optical Properties of Ag-Doped ZnO Nanowires: First Principles Study, J. Phys. Chem. C, 115, 9 (2011) 3552-3557.

DOI: 10.1021/jp1098816

Google Scholar