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- W4293498816 abstract "Abstract The electrical and optical properties of zigzag graphene nanoribbons is simulated using Density Functional Theory (DFT). It is found that n-ZGNRs (n = 18, 22, 26, 30) have metallic behavior. The results reveal that when the nanoribbon width increases, the first optical bandgap and optical absorption peaks diminish. Furthermore, at energies greater than around 1.40 eV, n-ZGNRs (n = 18, 22, 26, 30) have a negative refractive index for the z polarization. The maximum optical reflection peaks of n-ZGNRs (n = 18, 22, 26, 30) occur at about 5 eV for y polarization. Furthermore, unlike the y polarization, the z components of optical reflectivity are positioned at lower energies. The results show that the optical extinction of the simulated ZGNRs increases with ribbon width. The main reason is that the larger supercells have a higher mass density. For <?CDATA ${{rm{E}}}_{{rm{y}}}$?> <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML overflow=scroll> <mml:msub> <mml:mrow> <mml:mi mathvariant=normal>E</mml:mi> </mml:mrow> <mml:mrow> <mml:mi mathvariant=normal>y</mml:mi> </mml:mrow> </mml:msub> </mml:math> ∼ 0–4.50 eV, n-ZGNRs (n = 18, 22, 26, 30) support the conditions for the transverse-electric (TE) mode. Additionally, for <?CDATA ${{rm{E}}}_{{rm{y}}}$?> <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML overflow=scroll> <mml:msub> <mml:mrow> <mml:mi mathvariant=normal>E</mml:mi> </mml:mrow> <mml:mrow> <mml:mi mathvariant=normal>y</mml:mi> </mml:mrow> </mml:msub> </mml:math> higher than around 4.50 eV, n-ZGNRs (n = 18, 22, 26, 30) supplies the transverse-magnetic (TM) plasmons." @default.
- W4293498816 created "2022-08-29" @default.
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- W4293498816 date "2022-09-02" @default.
- W4293498816 modified "2023-09-29" @default.
- W4293498816 title "Optical spectra of zigzag graphene nanoribbons: a first-principles study" @default.
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- W4293498816 doi "https://doi.org/10.1088/1402-4896/ac8a25" @default.
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