Research article

Variation of the electronic properties of the silicene nanosheet passivated by hydrogen atoms: A DFT investigation

  • Received: 07 September 2019 Accepted: 23 October 2019 Published: 28 October 2019
  • Using the first-principles calculations, the electronic properties of hydrogenated silicene (H-silicene) has been investigated. The influence of the hydrogenation on the bandgap and I-V characteristics of the silicene is evaluated. It is shown that the H-silicene has an indirect band gap, with the value of 2.33 eV while silicene nanosheet represents a semi-metallic behavior with a zero band gap and Dirac cone at the Fermi level. Some unique properties of H-silicene is observed which make it ideal for variety of applications in designing spintronic devices, optoelectronics devices, transparent conducting electrodes, and integrated circuits.

    Citation: Hosein Alavi-Rad, Azadeh Kiani-Sarkaleh, Saeed Rouhi, Abbas Ghadimi. Variation of the electronic properties of the silicene nanosheet passivated by hydrogen atoms: A DFT investigation[J]. AIMS Materials Science, 2019, 6(6): 1010-1019. doi: 10.3934/matersci.2019.6.1010

    Related Papers:

  • Using the first-principles calculations, the electronic properties of hydrogenated silicene (H-silicene) has been investigated. The influence of the hydrogenation on the bandgap and I-V characteristics of the silicene is evaluated. It is shown that the H-silicene has an indirect band gap, with the value of 2.33 eV while silicene nanosheet represents a semi-metallic behavior with a zero band gap and Dirac cone at the Fermi level. Some unique properties of H-silicene is observed which make it ideal for variety of applications in designing spintronic devices, optoelectronics devices, transparent conducting electrodes, and integrated circuits.


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