![]() Gao G, Cagin T, Goddard WA III (1998) Energetics, structure, mechanical and vibrational properties of single-walled carbon nanotubes. Ren J, Li FF, Lau J, Gonzalez-Urbina L, Licht S (2005) One-pot synthesis of carbon nanofibers from CO \(_2\). Sari AH, Khazali A, Parhizgar SS (2018) Synthesis and characterization of long-CNTs by electrical arc discharge in deionized water and NaCl solution. Takeo Y, Tatsunori N, Kenji H, Don FN, Kohei M, Jing F, Masako Y, Motoo Y, Sumio I (2006) Size-selective growth of double-walled carbon nanotube forests from engineered iron catalysts. The refractive index measured along x-axis ( \(n_\) surface area. However, the percentage change in direct–indirect bandgap is negligibly small, i.e., 4.1% and 3.7% from GGA and DFT-1/2, respectively. From both GGA and DFT-1/2 approaches (6,1) SWCNT exhibits an indirect bandgap along \(\Gamma -\Delta\) symmetry. Thus, DFT-1/2 enhanced the electronic bandgap by 24.52%. The calculated bandgaps are 0.371 eV and 0.462 eV from GGA and DFT-1/2, respectively. (6,1) SWCNT is a low-bandgap semiconductor, which falls within ( \(n_1-n_2\))/3 \(\ne \,\) integer. We report the comparative study of electronic and optical properties of (6,1) SWCNT from GGA and DFT-1/2 methods.
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