Optical and electronic properties of zigzag boron nitride nanotube (6,0): DFT study

Abstract

The optical and electronic properties of boron nitride nanotubes have been studied using the full potential linear augmented plane wave method in the framework of density functional theory. The electronic properties such as band structure and density of states have been investigated using the generalized gradient approximation. In addition, the optical parameters of boron nitride nanotube (6,0) have been investigated such as real and imaginary parts of the dielectric function, electron energy loss function, refractive index, extinction coefficient, and optical conductivity. The obtained values are in better agreement with the available experimental data.

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Correspondence to Sara Sadat Parhizgar.

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Sotudeh, M., Boochani, A., Parhizgar, S.S. et al. Optical and electronic properties of zigzag boron nitride nanotube (6,0): DFT study. Int Nano Lett 10, 293–301 (2020). https://doi.org/10.1007/s40089-020-00314-w

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Keywords

  • DFT
  • BN nanotube
  • Li impurity
  • Electronic
  • Optical property