MATEC Web Conf.
Volume 142, 2018International Conference on Materials Applications and Engineering 2017 (ICMAE2017)
|Number of page(s)||6|
|Section||Chemical Materials and Chemical Syntheses|
|Published online||08 January 2018|
Effect of Ag Doping on the Electronic Structure and Optical Properties of ZnO(0001) Surface
School of Physics and Electronic Engineering, Fuyang Normal College, Fuyang 236037, China
* Corresponding author: firstname.lastname@example.org
Using first-principle calculations, the geometrical structure, the electronic and optical properties of Ag-doped ZnO(0001) surface have been investigated. We found that Ag-doped ZnO(0001) surface is more easily formed on the first layer. On the other hand, the doped surface has gradually become an equipotential body, showing obvious metallic characteristics. We found that a new peak appeared in the low energy region after Ag doping, which was mainly due to the electron transition between the two orbital levels of Ag-4d and O-2p.
© The Authors, published by EDP Sciences, 2018
This is an Open Access article distributed under the terms of the Creative Commons Attribution License 4.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (http://creativecommons.org/licenses/by/4.0/).
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