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Structural and electronic properties of rubidium-intercalated (5, 0) zigzag carbon nanotube

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Density functional theory and non-equilibrium Green’s function by TranSIESTA software were employed to investigate the structural and electronic properties of rubidium-intercalated (5, 0) zigzag carbon nanotube that could be used… Click to show full abstract

Density functional theory and non-equilibrium Green’s function by TranSIESTA software were employed to investigate the structural and electronic properties of rubidium-intercalated (5, 0) zigzag carbon nanotube that could be used as carbon nanotube-based electronic devices. The band structure, density of state and transmission spectra of the (5, 0) zigzag carbon nanotube intercalated with rubidium were calculated to show its higher metallic characteristics. The study of two-probe system showed that the device mode platform affects the measured conductance of the intercalated sample and how current variation due to this structural change can be increased. The study revealed that intercalation increases the effective conductivity. At last, a model was proposed to design the high-speed carbon nanotube-based devices.

Keywords: carbon; structural electronic; carbon nanotube; zigzag carbon

Journal Title: Indian Journal of Physics
Year Published: 2019

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