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Thermal Conductivity and Heat Capacity of Silicene Nanotube Compared to Silicene Nanoribbon

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Abstract

We use the third nearest tight binding model to investigate the thermo-electric properties of (N,0) zigzag Silicene nanotubes (ZN-SiNTs) for β [n = 3s0 + 1] and γ [n = 3s0 + 1] types with integer number s0. We validated our tight binding model by density functional theory (DFT) data. The Green function approach is employed to investigate the thermal properties of the ZN-SiNTs. Our calculations indicate that ZN-SiNTs have a direct band gap, which decreases with diameter. For the constant diameter, the thermal properties increase with the temperature, because the thermal energy of charge carriers increases with temperature. Larger diameter SiNTs have higher thermal properties due to the smaller band gap. The γ-type SiNTs have higher thermal intensities as compared to the β-type, because based on smaller band gap, their charge carriers need more thermal energy to excitation to conduction bands. By comparing the thermal properties of (N,0) armchair Silicene nanoribbons (AN-SiNRs) and ZN-SiNTs, we found that the thermal properties ZN-SiNT is smaller than that of the AN-SiNR with corresponding N.

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Data Availability

The data that support the findings of this study are available on request from the corresponding author.

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Authors and Affiliations

  1. Physics Department, Faculty of Science, Malayer University, Malayer, Iran

    Ziba Aghaiimanesh, Raad Chegel & Nader Ghobadi

Authors
  1. Ziba Aghaiimanesh
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  2. Raad Chegel
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  3. Nader Ghobadi
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Contributions

R. Chegel carried out the idea and performed the tight binding and DFT calculations with finding the hopping parameters. All authors wrote the original article.

Corresponding author

Correspondence to Raad Chegel.

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Aghaiimanesh, Z., Chegel, R. & Ghobadi, N. Thermal Conductivity and Heat Capacity of Silicene Nanotube Compared to Silicene Nanoribbon. Silicon 14, 5617–5628 (2022). https://doi.org/10.1007/s12633-021-01324-9

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  • DOI: https://doi.org/10.1007/s12633-021-01324-9

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