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Electric field effect on the zigzag (6,0) single-wall BC2N nanotube for use in nano-electronic circuits

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Abstract

We have analyzed the effect of external electric field on the zigzag (6,0) single-wall BC2N nanotube using density functional theory calculations. Analysis of the structural parameters indicates that the nanotube is resistant against the external electric field strengths. Analysis of the electronic structure of the nanotube indicates that the applied parallel electric field strengths have a much stronger interaction with the nanotube with respect to the transverse electric field strengths and the nanotube is easier to modulate by the applied parallel electric field. Our results show that the properties of the nanotube can be controlled by the proper external electric field for use in nano-electronic circuits.

Three-dimensional (3D) views of the (6,0) zigzag BC2N nanotube under electric field effect

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Authors and Affiliations

  1. Department of Chemistry, Azadshahr Branch, Islamic Azad University, Azadshahr, Golestan, Iran

    Mohammad T. Baei

  2. Young Researchers Club, Islamshahr Branch, Islamic Azad University, Tehran, Iran

    Ali Ahmadi Peyghan

  3. Department of Chemistry, Gonbad Kavoos Branch, Islamic Azad University, Gonbad Kavoos, Golestan, Iran

    Masoumeh Moghimi

  4. Department of Chemistry, Yazd Branch, Islamic Azad University, Yazd, Iran

    Saeede Hashemian

Authors
  1. Mohammad T. Baei
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  2. Ali Ahmadi Peyghan
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  3. Masoumeh Moghimi
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  4. Saeede Hashemian
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Correspondence to Mohammad T. Baei.

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Baei, M.T., Peyghan, A.A., Moghimi, M. et al. Electric field effect on the zigzag (6,0) single-wall BC2N nanotube for use in nano-electronic circuits. J Mol Model 19, 97–107 (2013). https://doi.org/10.1007/s00894-012-1526-9

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  • DOI: https://doi.org/10.1007/s00894-012-1526-9

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