The electronic structure, density of states and optical properties of ZnO doped by Mg in substitutional and interstitial position

DOI

10.2991/ic3me-15.2015.342How to use a DOI?

Keywords

First-principle calculations, density of state, optical property, electronic structure, MgZnO

Abstract

The formation energy, electronic structure, density of states and optical properties of ZnO doped by Mg in substitutional and interstitial positions are studied. It is found that the band gap of ZnO is enlarged by doping Mg in the substitutional position, and the ZnO doped by interstitial Mg becomes n-type semiconductor. The optical properties of pure ZnO and ZnO doped by Mg in substitutional position differ little. However, the difference between the optical properties of pure ZnO and ZnO doped by Mg in interstitial position is obvious. Doping ZnO with Mg in interstitial position, the absorption edge shows blue shift, the refractive index decreases, and the light permeability in the energy range from visible to near ultraviolet (0-4.2eV) gets better. Our research may provide helpful reference to the developments of ultraviolet optoelectronic devices.

Copyright

© 2015, the Authors. Published by Atlantis Press.

Open Access

This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).

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TY  - CONF
AU  - Yonghong Hu
AU  - Caixia Mao
PY  - 2015/08
DA  - 2015/08
TI  - The electronic structure, density of states and optical properties of ZnO doped by Mg in substitutional and interstitial position
BT  - Proceedings of the 3rd International Conference on Material, Mechanical and Manufacturing Engineering
PB  - Atlantis Press
SP  - 1771
EP  - 1776
SN  - 2352-5401
UR  - https://doi.org/10.2991/ic3me-15.2015.342
DO  - 10.2991/ic3me-15.2015.342
ID  - Hu2015/08
ER  -