Analysis of the Structural, Electronic, Mechanical and Optical Properties Through Density Function Theory of Bilayer Germanium Carbide

Bilayer two-dimensional (2D) crystal have received substantial interest because of their remarkable features, including enhanced optical absorption, superconductivity, and adjustable bandgap. These properties surpass those of the currently available monolayer 2D materials. We primarily deal with two-dimensional bilayer germanium carbide's (2D-GeC) optical, vibrational, and electronic structure using an exact first-principles density functional theory (DFT) investigation. The electrical bandgap of bilayer 2D-GeC increases from 1.21 eV at the material's direct K-point to about 1.23 eV when the spin-orbit coupling (SOC) effect is included. The exceptional ability of bilayer 2D-GeC to absorb light in both the visible and infrared (IR) bands causes changes in its optical properties, including its real and imaginary dielectric spectra as well as its electron energy loss function (EELF).

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Publication Details

Published
2024-09-12
DOI
https://doi.org/10.1109/peeiacon63629.2024.10800121
Primary Topic
Semiconductor materials and interfaces
Type
article
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article

Analysis of the Structural, Electronic, Mechanical and Optical Properties Through Density Function Theory of Bilayer Germanium Carbide

Md. Shizer Rahman, Md. Rasidul Islam, Ajay Krishno Sarkar
Semiconductor materials and interfaces
article

Analysis of the Structural, Electronic, Mechanical and Optical Properties Through Density Function Theory of Bilayer Germanium Carbide

Md. Shizer Rahman, Md. Rasidul Islam, Ajay Krishno Sarkar
article en

Abstract

Bilayer two-dimensional (2D) crystal have received substantial interest because of their remarkable features, including enhanced optical absorption, superconductivity, and adjustable bandgap. These properties surpass those of the currently available monolayer 2D materials. We primarily deal with two-dimensional bilayer germanium carbide's (2D-GeC) optical, vibrational, and electronic structure using an exact first-principles density functional theory (DFT) investigation. The electrical bandgap of bilayer 2D-GeC increases from 1.21 eV at the material's direct K-point to about 1.23 eV when the spin-orbit coupling (SOC) effect is included. The exceptional ability of bilayer 2D-GeC to absorb light in both the visible and infrared (IR) bands causes changes in its optical properties, including its real and imaginary dielectric spectra as well as its electron energy loss function (EELF).

Gopalganj Science and Technology University (BD)
Openalex Percentile: Top 78%
Semiconductor materials and interfaces
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