Current Applied Sciences
Interdisciplinary Journal

DFT Study of Armchair Silicon Carbide Nanoribbons (w=3)

Document Type : Short Communications

Authors

Hojat Allah Badehian 1
Ziad Badehian 2
Rahim Sharifirad 1

1 Department of Physics, Faculty of Science, Fasa University, Fasa, Iran

2 Faculty of Science, Islamic Azad University, Larestan Branch, Larestan, Iran

https://doi.org/10.22034/cas.2022.323191.1008
Abstract
The optical spectra of armchair silicon carbide nanoribbons (ASiCNRs) with edges passivated by hydrogen were calculated exploiting density functional theory (DFT). It was found that the dielectric function of the simulated nanoribbon has anisotropic behavior due to the asymmetric crystal lattice. Compared to isotropic behavior, anisotropic means different behavior in all directions. The first peak of the imaginary part of the dielectric function (2.57 eV) suggests that the first optical band-gap of ASiCNRs is 2.57 eV. Besides, the z component of the static refractive index of ASiCNRs is 1.34. Our results show that the first optical absorption’s peak for the z polarization happens at 2.57 eV, which is in agreement with the imaginary part of the dielectric function. The first and second peaks of the optical extinction are located at 2.57 eV and 3.42 eV as well.

Graphical Abstract

DFT Study of Armchair Silicon Carbide Nanoribbons (w=3)

Keywords

ASiCNRs
Dielectric function
Optical absorption
Optical extinction
Current Applied Sciences
Volume 1, Issue 2 - Serial Number 2
December 2023
Pages 85-90

  • Receive Date 05 January 2023
  • Revise Date 15 February 2023
  • Accept Date 16 February 2023

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