Optical Properties of Stone-Wales Graphene Based on First-principles Calculations

XIE Yue; QIN Xuefang; SHAO Zhigang; HU Liangbin

doi:10.6054/j.jscnun.2022020

Journal of South China Normal University (Natural Science Edition) > 2022 > 54(2): 13-17. > DOI: 10.6054/j.jscnun.2022020

XIE Yue, QIN Xuefang, SHAO Zhigang, HU Liangbin. Optical Properties of Stone-Wales Graphene Based on First-principles Calculations[J]. Journal of South China Normal University (Natural Science Edition), 2022, 54(2): 13-17. DOI: 10.6054/j.jscnun.2022020

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Optical Properties of Stone-Wales Graphene Based on First-principles Calculations

Guangdong Provincial Key Laboratory of Quantum Engineering and Quantum Materials/National Demonstration Center for Experimental Physics Education/Guangdong Engineering Technology Research Center of Efficient Green Energy and Environment Protection Materials/School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou 510006, China

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Received Date: October 19, 2021
Available Online: May 11, 2022

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Abstract

The optical properties of a new two-dimensional (2D) material Stone-Wales (SW) graphene are investigated with first-principles calculations based on the density functional theory. The optical properties of SW graphene are analyzed in detail from the aspects of reflection, absorption and dielectric function. The results show that the optical properties of the 2D Dirac carbon material display strong anisotropy under different types of polarized light. The real part of the dielectric function indicates that its static dielectric constant is large, which indicates that the material has many usable free carriers, so it has excellent conductivity and can be used as a candidate material for a new generation of nanoelectronic devices. In addition, both the reflection and absorption spectra indicate that SW graphene has a relatively sensitive optical response in the overall optical region, which indicates that its use is very promising in the field of optoelectronic devices.
- Stone-Wales graphene,
- optical properties,
- first-principles theory

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