Investigating the effect of compressive strain on the electro-optical properties of the two-dimensional penta-graphene nanostructure in the base of Density Function Theory

Alborznia, Hamidreza; Hosseini Moradi, Seyed Ali

Authors

¹ Department of Physics, Islamic Azad University, Kermanshah, Iran

² Assistant Professor - Department of Physics - Air Defense University - Tehran - Iran

Abstract

In this article, new research is based on density functional theory (DFT), and simulation of first-principles calculations, to investigate the effects of vertical compressive strain on the properties of two-dimensional penta-graphene nanostructure. First, to validate this research's results, the structural and electronic properties of penta-graphene were investigated in the optimal state, and the results show a good agreement with previous research. Investigating the electronic properties of penta-graphene under the conditions of compressive strain indicates the change of the energy band gap from indirect to direct. Also, the examination of the optical properties of this two-dimensional nanostructure under compressive strain conditions shows the compatibility of this nanostructure's optical and electronic behaviors. According to the results obtained in this research, the two-dimensional nanostructure of penta-graphene can be introduced as a suitable material for the design of electro-optical devices.

Keywords

Main Subjects

Advanced materials (nano materials, absorbents, adhesives, lubricants, fire retardants, etc.)

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Aerospace Defense

Investigating the effect of compressive strain on the electro-optical properties of the two-dimensional penta-graphene nanostructure in the base of Density Function Theory

References

References

Volume 1, Issue 4 - Serial Number 4
December 2021
Pages 1-11

Investigating the effect of compressive strain on the electro-optical properties of the two-dimensional penta-graphene nanostructure in the base of Density Function Theory

References

References

Volume 1, Issue 4 - Serial Number 4December 2021Pages 1-11

Volume 1, Issue 4 - Serial Number 4
December 2021
Pages 1-11