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• W2047917811 abstract "The optical properties of (8,0) BC 3 and B 3 C single-wall carbon nanotubes (SWCNTs) are computed using ab initio density functional theory (DFT). The electronic band structure reveals that the Fermi energy of B 3 C system is reduced compared to BC 3 . The static dielectric constant in the long wavelength limit for B 3 C system is 9 times larger than that of BC 3 in unpolarized electromagnetic field. Within 10 eV frequency (energy) range, the absorption coefficient of B 3 C is higher compared to BC 3 , while, above 10 eV, it is less than that of BC 3 . In parallel polarization, the peak of the loss function for B 3 C is shifted to higher frequency (energy) region with significantly six orders of magnitude compared to BC 3 system. The analysis of this study indicates that the optical anisotropies can be gained easily in these boron-doped systems by appropriately choosing the direction of the polarization of the electromagnetic field. Besides, the results of the loss functions may throw some light on the nature of collective excitations of these two systems." @default.
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• W2047917811 date "2011-09-14" @default.
• W2047917811 modified "2023-09-30" @default.
• W2047917811 title "A Comparative Study of Optical Anisotropies of BC3 and B3C Systems by Density Functional Theory" @default.
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• W2047917811 doi "https://doi.org/10.5402/2011/759838" @default.
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