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Anisotropic optical properties induced by uniaxial strain of monolayer C3N: a first-principles study

机译：单阴部C3N的单轴菌株诱导的各向异性光学性质：第一原理研究

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摘要

The optical properties, structural properties and electronic properties of a new two-dimensional (2D) monolayer C3N 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 C3N is composed of a number of hexagonal C rings withN 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 epsilon = -10% to epsilon = 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 C3N 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 C3N. We suggest that monolayer C3N could be suitable for applications in optoelectronics and nanoelectronics.
机译：的光学特性，结构性质和电子性质的新的二维（2D）单层C3N下不同株是通过使用第一原理计算本文研究。所施加的应变包括层双轴应变和单轴应变。单层C3N由许多六角形Ç环withN原子连接它们的。这是一个稳定的间接带隙半导体2D当应变为0％。它可以从下的ε-= -10％不同双轴单轴和菌株的ε-= 10％维持间接半导电字符。作为用于它的光学性质，当单轴应变施加，沿扶手椅和Z字形方向的吸收率和反射率表现出各向异性的性质。然而，被施加的双轴应变时呈现具有各向同性性质。最重要的是，两个单轴拉伸应变和双轴拉伸应变可能导致单层C3N的高吸收系数是在深紫外区。这项研究意味着应变工程是改变单层C3N的电子和光学性质的有效途径。我们建议，单层C3N可以适用于光电子和纳米电子学的应用。

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  • 来源
    《RSC Advances》 |2019年第23期|共12页
  • 作者

    Chen Qing-Yuan; Liu Ming-yang; Cao Chao; He Yao;

  • 作者单位

    Yunnan Univ Dept Phys 2 Green Lake North Rd Kunming 650091 Yunnan Peoples R China;

    Yunnan Univ Dept Phys 2 Green Lake North Rd Kunming 650091 Yunnan Peoples R China;

    Hangzhou Normal Univ Dept Phys 16 Xue Lin St Hangzhou 310036 Zhejiang Peoples R China;

    Yunnan Univ Dept Phys 2 Green Lake North Rd Kunming 650091 Yunnan Peoples R China;

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  • 正文语种 eng
  • 中图分类 化学;
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