2021
DOI: 10.3390/nano11102475
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Essential Electronic Properties of Silicon Nanotubes

Abstract: In this work, the various electronic properties of silicon nanotubes (SiNTs) were investigated by the density functional theory. The cooperative and competitive relationships between the chiral angle, periodic boundary conditions, and multi-orbital hybridizations create unusual narrow gaps and quasi-flat bands in the ultra-small armchair and zigzag tubes, respectively. The features varied dramatically with tube radii. Armchair SiNTs (aSiNTs) have an indirect-to-direct band gap transition as their radius is inc… Show more

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Cited by 8 publications
(3 citation statements)
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“…Interestingly, the small-diameter NTs are found to be semiconducting. This behavior is different than what is found in carbon NTs, BC 2 N, and Silicene NTs [80][81][82]. Hybridization is the key to understanding the metallic behavior in carbon NTs at small diameters [80].…”
Section: Electronic Structure and Transport Propertiesmentioning
confidence: 73%
“…Interestingly, the small-diameter NTs are found to be semiconducting. This behavior is different than what is found in carbon NTs, BC 2 N, and Silicene NTs [80][81][82]. Hybridization is the key to understanding the metallic behavior in carbon NTs at small diameters [80].…”
Section: Electronic Structure and Transport Propertiesmentioning
confidence: 73%
“…As per the BZ folding scheme, the Dirac cone at k ¼ 2p=3a; 2p ffiffi ffi 3 p a À Á in the 2D BZ of a hexagonal lattice is folded into the K point of the 1D BZ. [29][30][31][32] These highly symmetric points play a crucial role in characterizing the energy dispersion and band gap properties.…”
Section: Energy Bandsmentioning
confidence: 99%
“…where k describes the electrical conductivity, ∅ describes the potential, i refers to the current density, and x describes the cell thickness [4].…”
Section: Cathodementioning
confidence: 99%