10.57647/j.spre.2025.0902.11

A density functional theory study of electronic and optical properties of armchair and zigzag silicon carbide nanosheets

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  • Ghobad Mohammad Karimi1,
  • Mohammad Azim Karami2,
  • Hassan Ghalami Bavil Olyaee*3,
  • Javad Karamdel1,
  1. Department of Electrical Engineering, south Tehran Branch, Islamic Azad University, Tehran, Iran
  2. School of Electrical Engineering, Iran University of Science & Technology (IUST), Tehran, Iran
  3. Department of Physics, South Tehran Branch, Islamic Azad University, Tehran, Iran

Received: 2025-02-12

Revised: 2025-03-09

Accepted: 2025-03-17

Published in Issue 2025-06-01

Copyright (c) 2025 ghobad Mohammad karimi, Mohammad azim Karami, Hassan Ghalami Bavil Olyaee, Javad Karamdel (Author)

Creative Commons License

This work is licensed under a Creative Commons Attribution-NoDerivatives 4.0 International License.

How to Cite

Mohammad Karimi, G., Karami, M. A., Ghalami Bavil Olyaee, H., & Karamdel, J. (2025). A density functional theory study of electronic and optical properties of armchair and zigzag silicon carbide nanosheets. Signal Processing and Renewable Energy (SPRE), 9(2 (June 2025). https://doi.org/10.57647/j.spre.2025.0902.11
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Abstract

Using the density functional theory (DFT) based on first principles calculations, the two-dimensional (2D) nanostructure of silicon carbide (SiC) is investigated in this article. The band structure, density of states, and optical properties of 2D armchair (n,n) and zigzag (n,0) nanostructures (n=3,4,5) are calculated. Calculations show that the introduced nanostructures have a direct energy gap of 2.82 electron volts (eV), a valence band edge of nearly -1.38 eV, and a conduction band edge of almost 1.44 eV. Also, the calculations show that in armchair silicon carbide nanosheets (ASiCNSs) (3,3) at the point of 3.55 electron volts, the absorption coefficient is 432466cm-1, which is the highest absorption coefficient among all studied structures in this paper.

Keywords

  • SiC,
  • DFT,
  • Electronic and optical properties,
  • Armchair and zigzag
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