Tight-binding approach to electronic structure of carbon nanotubes

2000 ◽  
Author(s):  
Shu Kin Lok
Keyword(s):  
Carbon Nanotubes ◽  
Electronic Structure ◽  
Tight Binding ◽  
Structure Of Carbon Nanotubes

ELECTRONIC STATES OF NANOSTRUCTURES OF CURVED GRAPHITIC CARBON CAGES

1996 ◽  
Vol 03 (01) ◽  
pp. 835-842 ◽  
Author(s):  
M. TSUKADA ◽  
K. AKAGI ◽  
R. TAMURA ◽  
S. IHARA
Keyword(s):  
Carbon Nanotubes ◽  
Electronic Structure ◽  
Systematic Study ◽  
Tight Binding ◽  
Electronic States ◽  
Graphitic Carbon ◽  
Graphitic Layer ◽  
Binding Models ◽  
Structure Of Carbon Nanotubes

Electronic structure of carbon nanotubes with cap and that of the helically coiled nanotubes are studied by the simple tight-binding models. The method of the development map is used for a systematic study of the electronic states. Several remarkable features of these cage structures are found and the relation to the topological disorders due to the disclination centers is discussed, which are inherent to the curved graphitic layer.

scholarly journals Electronic structure of carbon nanotubes

2007 ◽  
pp. 205-218 ◽  
Author(s):  
Martin Knupfer ◽  
Mark S. Golden ◽  
Thomas Pichler ◽  
Jörg Fink
Keyword(s):  
Carbon Nanotubes ◽  
Electronic Structure ◽  
Structure Of Carbon Nanotubes

scholarly journals Symmetry-adapted tight-binding electronic structure analysis of carbon nanotubes with defects, kinks, twist, and stretch

2020 ◽  
pp. 108128652096183
Author(s):  
Soumya Mukherjee ◽  
Hossein Pourmatin ◽  
Yang Wang ◽  
Timothy Breitzman ◽  
Kaushik Dayal
Keyword(s):  
Carbon Nanotubes ◽  
Electronic Structure ◽  
Band Structure ◽  
Tight Binding ◽  
Numerical Approach ◽  
Computational Method ◽  
Computational Domain ◽  
Perfectly Matched Layers ◽  
Vacancy Defects ◽  
Semiconducting Nanotubes

In this paper, a symmetry-adapted method is applied to examine the influence of deformation and defects on the electronic structure and band structure in carbon nanotubes. First, the symmetry-adapted approach is used to develop the analog of Bloch waves. Building on this, the technique of perfectly matched layers is applied to develop a method to truncate the computational domain of electronic structure calculations without spurious size effects. This provides an efficient and accurate numerical approach to compute the electronic structure and electromechanics of defects in nanotubes. The computational method is applied to study the effect of twist, stretch, and bending, with and without various types of defects, on the band structure of nanotubes. Specifically, the effect of stretch and twist on band structure in defect-free conducting and semiconducting nanotubes is examined, and the interaction with vacancy defects is elucidated. Next, the effect of localized bending or kinking on the electronic structure is studied. Finally, the paper examines the effect of 5–8–5 Stone–Wales defects. In all of these settings, the perfectly matched layer method enables the calculation of localized non-propagating defect modes with energies in the bandgap of the defect-free nanotube.

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