ELECTRONIC BAND STRUCTURE OF CARBON NANOTUBES WITH QUINOID STRUCTURE

2013 ◽  
Vol 27 (25) ◽  
pp. 1350179
Author(s):  
NGUYEN NGOC HIEU ◽  
NGUYEN PHAM QUYNH ANH
Keyword(s):  
Carbon Nanotubes ◽  
Carbon Nanotube ◽  
Band Structure ◽  
Electronic Band Structure ◽  
Tight Binding ◽  
Electronic Energy ◽  
Electronic Band ◽  
Tight Binding Approximation ◽  
Quinoid Structure ◽  
Structure Of Carbon Nanotubes

In this paper, we fully describe the geometry of atomic structure of carbon nanotube with quinoid structure. Electronic energy band structure of carbon nanotubes with quinoid structure is studied by tight-binding approximation. In the presence of bond alternation, calculations show that only armchair (n, n) carbon nanotube (without twisting) remains metallic and zigzag (3ν - 1, -3ν + 1) CNT becomes metallic at the critical elongation. Effect of deformation on the change of band gap is also calculated and discussed.

scholarly journals A Review of Electronic Band Structure of Graphene and Carbon Nanotubes Using Tight Binding

2011 ◽  
Vol 2011 ◽  
pp. 1-6 ◽  
Author(s):  
Davood Fathi
Keyword(s):  
Carbon Nanotubes ◽  
Band Structure ◽  
Approximation Theory ◽  
Electronic Band Structure ◽  
Tight Binding ◽  
Single Walled Carbon Nanotubes ◽  
Electronic Band ◽  
Tight Binding Approximation ◽  
Chiral Nanotubes ◽  
Walled Carbon Nanotubes

The electronic band structure variations of single-walled carbon nanotubes (SWCNTs) using Huckle/tight binding approximation theory are studied. According to the chirality indices, the related expressions for energy dispersion variations of these elements are derived and plotted for zigzag and chiral nanotubes.

Effect of boron impurity in a carbon nanotube superlattice

2017 ◽  
Vol 31 (14) ◽  
pp. 1750106
Author(s):  
Zahra Karimi Ghobadi ◽  
Aliasghar Shokri ◽  
Sonia Zarei
Keyword(s):  
Carbon Nanotube ◽  
Band Structure ◽  
Boron Atom ◽  
Density Of States ◽  
Nearest Neighbor ◽  
Electronic Band Structure ◽  
Tight Binding ◽  
Topological Defects ◽  
Electronic Band ◽  
Neighbor Approximation

In this work, the influence of boron atom impurity is investigated on the electronic properties of a single-wall carbon nanotube superlattice which is connected by pentagon–heptagon topological defects along the circumference of the heterojunction of these superlattices. Our calculation is based on tight-binding [Formula: see text]-electron method in nearest-neighbor approximation. The density of states (DOS) and electronic band structure in presence of boron impurity has been calculated. Results show that when boron atom impurity and nanotube atomic layers have increased, electronic band structure and the DOS have significant changes around the Fermi level.

Electronic structure of helically coiled carbon nanotubes

2005 ◽  
Vol 901 ◽  
Author(s):  
Gian Giacomo Guzman-Verri ◽  
Lok C. Lew Yan Voon ◽  
Morten Willatzen ◽  
Jens Gravesen
Keyword(s):  
Carbon Nanotubes ◽  
Band Structure ◽  
Electronic Band Structure ◽  
Electronic Energy ◽  
Electronic Band ◽  
Curvature Effects ◽  
Helical Carbon Nanotubes ◽  
Coil Diameter ◽  
Curvature Energy ◽  
Effective Mass Approach

AbstractIn the present work we calculate the electronic band structure of single-wall helical carbon nanotubes following an effective-mass approach. We include curvature effects and strain due to bending in the band structure. The curvature energy ΔE, and the change in the electronic energy ΔEs due to strain, depend upon the coil pitch and coil diameter of the tube. We find 0.003 ≤|ΔE|≤ 1.3 eV and 0 ≤ΔEs ≤ 4.0 eV for the single-wall helical carbon nanotubes considered here.

scholarly journals The recurrent relations for the electronic band structure of the multilayer graphene

2018 ◽  
Vol 474 (2220) ◽  
pp. 20180439 ◽  
Author(s):  
V. N. Davydov
Keyword(s):  
Band Structure ◽  
Electronic Band Structure ◽  
Electronic Energy ◽  
Multilayer Graphene ◽  
Energy Bands ◽  
Linear Dispersion ◽  
Electronic Band ◽  
Tight Binding Approximation ◽  
Number Of Layers ◽  
Recurrent Relations

The structure of the electronic energy bands for stacked multilayer graphene is developed using the tight-binding approximation (TBA). The spectra of the Dirac electrons are investigated in vicinity of the Brillouin zone minima. The electron energy dependence on quasi-momentum is established for an arbitrary number of the graphene layers for multilayer graphene having even number of layers N  = 2 n , ( n  = 2, 3, 4, …) with the Bernal stacking ABAB … AB; or for odd number of layers N  = 2 n  + 1, ( n  = 1, 2, 3, …) with stacking ABAB … A. It is shown that four non-degenerate energy branches of the electronic energy spectrum are present for any number of layers. Degeneracy is considered of graphene-like energy branches with linear dispersion law. Dependences of such branches number and their degeneracy are found on number of layers. The recurrent relations are obtained for the electronic band structure of the stacked ABA…, ABC… and AAA… multilayer graphene. The flat electronic bands are obtained for ABC-stacked multilayer graphene near the K -point at the Fermi level. Such an approach may be useful in the study of multivarious aspects of graphene's physics and nanotechnologies. Also paper gives new hints for deeper studies of graphite intercalation compounds.

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