Theory of Chiral Transport in Carbon Nanotubes

Noro, Masaki; Tanaka, Junya; Yokoyama, Takehito; Murakami, Shuichi

doi:10.48550/arxiv.2106.00338

Cited by 1 publication

(1 citation statement)

References 45 publications

(49 reference statements)

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“…On the other hand, the zigzag tubes (10,0), (14,0), (16,0) and (17,0) have a semiconducting character with a direct band gaps which is in agreement with previous works [36][37][38][39][40] and signifying that these semiconducting nanotubes are a suitable nanoelectronic device for developping light-emitting and detecting devices. Furthermore, it can be seen in the band structures, the appearance of the quantized subbands caused by the periodicity along the circumference of CNTs [41,42] and cross at the Fermi level for the metal tubes. Their number increases when the chirality index n increases and make so these tubes with a special properties such as the excellent current carrying capacity [43].…”

Section: Geometrical Parametersmentioning

confidence: 99%

Electronic Properties and Band Gaps of Single-Wall Carbon Nanotubes Using π Orbitals Tight-Binding Model: A Comparative Study with Ab Initio Density Functional Theory

Takassa

Farkad

Ibnouelghazi

et al. 2022

JNanoR

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Semiconducting single-wall carbon nanotubes (SWCNTs) have already emerged as a promising candidate for molecular electronics and photovoltaic applications including solar cells. Any application of semiconducting SWCNTs is primarily related to proper information about its bandgap. In this work, the impact of the chirality indices and diameters of a series of armchair and zigzag SWCNTs on the electronic properties (band gap, electronic band structure and density of states (DOS)) are investigated using semi-empirical π orbitals tight-binding (TB) method. The results indicate that the electronic behaviour of the nanotubes changes according to chirality, the total number of electronic sub-bands gets increased when the chirality increases and Van Hove singularities (VHs) appear in its electronic DOS. We have found that for small diameter tubes (less than 0.8 nm), the calculated band gaps don’t agree with DFT calculations based on ab-initio (LDA and GGA) methods, which shows that the semi-empirical TB method including π orbitals only is not sufficient to give a reasonable description of small nanotubes. All Obtained results are in good agreement with previous studies. Semiconducting SWCNTs used in this study are particularly well-suited for the nanoelectronic devices and optoelectronic applications with their direct bandgap and optical transitions, while metallic SWCNTs are considered to be ideal candidates for variety of future nanoelectronic applications such as nanocircuit interconnects and power transmission cables.

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