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Anisotropic optical properties induced by uniaxial strain of monolayer C(3)N: a first-principles study
The optical properties, structural properties and electronic properties of a new two-dimensional (2D) monolayer C(3)N under different strains are studied in this paper by using first-principles calculations. The applied strain includes in-layer biaxial strain and uniaxial strain. The monolayer C(3)N...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9063800/ https://www.ncbi.nlm.nih.gov/pubmed/35520782 http://dx.doi.org/10.1039/c9ra01024f |
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author | Chen, Qing-Yuan Liu, Ming-yang Cao, Chao He, Yao |
author_facet | Chen, Qing-Yuan Liu, Ming-yang Cao, Chao He, Yao |
author_sort | Chen, Qing-Yuan |
collection | PubMed |
description | The optical properties, structural properties and electronic properties of a new two-dimensional (2D) monolayer C(3)N under different strains are studied in this paper by using first-principles calculations. The applied strain includes in-layer biaxial strain and uniaxial strain. The monolayer C(3)N is composed of a number of hexagonal C rings with N atoms connecting them. It is a stable indirect band gap 2D semiconductor when the strain is 0%. It could maintain indirect semiconductive character under different biaxial and uniaxial strains from ε = −10% to ε = 10%. As for its optical properties, when the uniaxial strain is applied, the absorption and reflectivity along the armchair and zigzag directions exhibit an anisotropic property. However, an isotropic property is presented when the biaxial strain is applied. Most importantly, both uniaxial tensile strain and biaxial tensile strain could cause the high absorption coefficient of monolayer C(3)N to be in the deep ultraviolet region. This study implies that strain engineering is an effective approach to alter the electronic and optical properties of monolayer C(3)N. We suggest that monolayer C(3)N could be suitable for applications in optoelectronics and nanoelectronics. |
format | Online Article Text |
id | pubmed-9063800 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | The Royal Society of Chemistry |
record_format | MEDLINE/PubMed |
spelling | pubmed-90638002022-05-04 Anisotropic optical properties induced by uniaxial strain of monolayer C(3)N: a first-principles study Chen, Qing-Yuan Liu, Ming-yang Cao, Chao He, Yao RSC Adv Chemistry The optical properties, structural properties and electronic properties of a new two-dimensional (2D) monolayer C(3)N under different strains are studied in this paper by using first-principles calculations. The applied strain includes in-layer biaxial strain and uniaxial strain. The monolayer C(3)N is composed of a number of hexagonal C rings with N atoms connecting them. It is a stable indirect band gap 2D semiconductor when the strain is 0%. It could maintain indirect semiconductive character under different biaxial and uniaxial strains from ε = −10% to ε = 10%. As for its optical properties, when the uniaxial strain is applied, the absorption and reflectivity along the armchair and zigzag directions exhibit an anisotropic property. However, an isotropic property is presented when the biaxial strain is applied. Most importantly, both uniaxial tensile strain and biaxial tensile strain could cause the high absorption coefficient of monolayer C(3)N to be in the deep ultraviolet region. This study implies that strain engineering is an effective approach to alter the electronic and optical properties of monolayer C(3)N. We suggest that monolayer C(3)N could be suitable for applications in optoelectronics and nanoelectronics. The Royal Society of Chemistry 2019-04-29 /pmc/articles/PMC9063800/ /pubmed/35520782 http://dx.doi.org/10.1039/c9ra01024f Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/ |
spellingShingle | Chemistry Chen, Qing-Yuan Liu, Ming-yang Cao, Chao He, Yao Anisotropic optical properties induced by uniaxial strain of monolayer C(3)N: a first-principles study |
title | Anisotropic optical properties induced by uniaxial strain of monolayer C(3)N: a first-principles study |
title_full | Anisotropic optical properties induced by uniaxial strain of monolayer C(3)N: a first-principles study |
title_fullStr | Anisotropic optical properties induced by uniaxial strain of monolayer C(3)N: a first-principles study |
title_full_unstemmed | Anisotropic optical properties induced by uniaxial strain of monolayer C(3)N: a first-principles study |
title_short | Anisotropic optical properties induced by uniaxial strain of monolayer C(3)N: a first-principles study |
title_sort | anisotropic optical properties induced by uniaxial strain of monolayer c(3)n: a first-principles study |
topic | Chemistry |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9063800/ https://www.ncbi.nlm.nih.gov/pubmed/35520782 http://dx.doi.org/10.1039/c9ra01024f |
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