The Electronic and Optical Properties of Au Doped Single-Layer Phosphorene
- Authors: Zhu Z.1, Chen C.1,2,3, Liu J.1, Han L.1
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Affiliations:
- School of Science
- Material Science and Chemistry Engineering College
- Research Center for Materials Genome Engineering
- Issue: Vol 92, No 1 (2018)
- Pages: 132-139
- Section: Physical Chemistry of Nanoclusters and Nanomaterials
- URL: https://bakhtiniada.ru/0036-0244/article/view/169868
- DOI: https://doi.org/10.1134/S0036024418010314
- ID: 169868
Cite item
Abstract
The electronic properties and optical properties of single and double Au-doped phosphorene have been comparatively investigated using the first-principles plane-wave pseudopotential method based on density functional theory. The decrease from direct band gap 0.78 eV to indirect band gap 0.22 and 0.11 eV are observed in the single and double Au-doped phosphorene, respectively. The red shifts of absorbing edge occur in both doped systems, which consequently enhance the absorbing of infrared light in phosphorene. Band gap engineering can, therefore, be used to directly tune the optical absorption of phosphorene system by substitutional Au doping.
About the authors
Ziqing Zhu
School of Science
Email: tiancaiilu@qq.com
China, Wuhan, 430070
Changpeng Chen
School of Science; Material Science and Chemistry Engineering College; Research Center for Materials Genome Engineering
Author for correspondence.
Email: tiancaiilu@qq.com
China, Wuhan, 430070; Wuhan, 430074; Wuhan
Jiayi Liu
School of Science
Email: tiancaiilu@qq.com
China, Wuhan, 430070
Lu Han
School of Science
Email: tiancaiilu@qq.com
China, Wuhan, 430070
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