scholarly journals Tight-binding approximation for bilayer graphene and nanotube structures: From commensurability to incommensurability between the layers

2022 ◽  
Vol 105 (4) ◽  
Author(s):  
D. V. Chalin ◽  
D. I. Levshov ◽  
A. E. Myasnikova ◽  
S. B. Rochal
Keyword(s):  
Tight Binding ◽  
Bilayer Graphene ◽  
Tight Binding Approximation

scholarly journals Flat bands in slightly twisted bilayer graphene: Tight-binding calculations

2010 ◽  
Vol 82 (12) ◽  
Author(s):  
E. Suárez Morell ◽  
J. D. Correa ◽  
P. Vargas ◽  
M. Pacheco ◽  
Z. Barticevic
Keyword(s):  
Tight Binding ◽  
Bilayer Graphene ◽  
Flat Bands ◽  
Twisted Bilayer Graphene

Electrical Transport Properties of Carbon Nanotube Metal-Semiconductor Heterojunction

2016 ◽  
Vol 15 (05n06) ◽  
pp. 1660009 ◽  
Author(s):  
Keka Talukdar ◽  
Anil Shantappa
Keyword(s):  
Electrical Transport ◽  
Nearest Neighbor ◽  
Electronic Devices ◽  
Tight Binding ◽  
Transmission Function ◽  
Topological Defects ◽  
Dynamics Simulation ◽  
Internal Stresses ◽  
Electrical Transport Properties ◽  
Tight Binding Approximation

Carbon nanotubes (CNTs) have been proved to have promising applicability in various fields of science and technology. Their fascinating mechanical, electrical, thermal, optical properties have caught the attention of today’s world. We have discussed here the great possibility of using CNTs in electronic devices. CNTs can be both metallic and semiconducting depending on their chirality. When two CNTs of different chirality are joined together via topological defects, they may acquire rectifying diode property. We have joined two tubes of different chiralities through circumferential Stone–Wales defects and calculated their density of states by nearest neighbor tight binding approximation. Transmission function is also calculated to analyze whether the junctions can be used as electronic devices. Different heterojunctions are modeled and analyzed in this study. Internal stresses in the heterojunctions are also calculated by molecular dynamics simulation.

Luminescent Amorphous Silicon Layers

1997 ◽  
Vol 486 ◽  
Author(s):  
G. Allan ◽  
C. Delerue ◽  
M. Lannoo
Keyword(s):  
Electronic Structure ◽  
Amorphous Silicon ◽  
Radiative Recombination ◽  
Crystalline Silicon ◽  
Tight Binding ◽  
Blue Shift ◽  
Localized States ◽  
Structure Model ◽  
Radiative Recombination Rate ◽  
Tight Binding Approximation

AbstractThe electronic structure of amorphous silicon layers has been calculated within the empirical tight binding approximation using the Wooten-Winer-Weaire atomic structure model. We predict an important blue shift due to the confinement for layer thickness below 3 nm and we compare with crystalline silicon layers. The radiative recombination rate is enhanced by the disorder and the confinement but remains quite small. The comparison of our results with experimental results shows that the density of defects and localized states in the studied samples must be quite small.

scholarly journals Dodecagonal bilayer graphene quasicrystal and its approximants

2019 ◽  
Vol 5 (1) ◽  
Author(s):  
Guodong Yu ◽  
Zewen Wu ◽  
Zhen Zhan ◽  
Mikhail I. Katsnelson ◽  
Shengjun Yuan
Keyword(s):  
Large Scale ◽  
Lattice Mismatch ◽  
Tight Binding ◽  
Bilayer Graphene ◽  
Dominant Factor ◽  
Honeycomb Lattice ◽  
Fermi Velocity ◽  
Band Theory ◽  
Incommensurate Structures ◽  
Unfolding Method

AbstractDodecagonal bilayer graphene quasicrystal has 12-fold rotational order but lacks translational symmetry which prevents the application of band theory. In this paper, we study the electronic and optical properties of graphene quasicrystal with large-scale tight-binding calculations involving more than ten million atoms. We propose a series of periodic approximants which reproduce accurately the properties of quasicrystal within a finite unit cell. By utilizing the band-unfolding method on the smallest approximant with only 2702 atoms, the effective band structure of graphene quasicrystal is derived. The features, such as the emergence of new Dirac points (especially the mirrored ones), the band gap at $$M$$M point and the Fermi velocity are all in agreement with recent experiments. The properties of quasicrystal states are identified in the Landau level spectrum and optical excitations. Importantly, our results show that the lattice mismatch is the dominant factor determining the accuracy of layered approximants. The proposed approximants can be used directly for other layered materials in honeycomb lattice, and the design principles can be applied for any quasi-periodic incommensurate structures.

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