Effects of topological defects and local curvature on the electronic properties of planar graphene

2007 ◽  
Vol 763 (3) ◽  
pp. 293-308 ◽  
Author(s):  
Alberto Cortijo ◽  
María A.H. Vozmediano
Keyword(s):  
Electronic Properties ◽  
Topological Defects ◽  
Local Curvature ◽  
Planar Graphene

scholarly journals Electronic properties of emergent topological defects in chiralp-wave superconductivity

2016 ◽  
Vol 94 (2) ◽  
Author(s):  
L.-F. Zhang ◽  
V. Fernández Becerra ◽  
L. Covaci ◽  
M. V. Milošević
Keyword(s):  
Electronic Properties ◽  
Topological Defects

scholarly journals Introducing novel electronic and magnetic properties in C3N nanosheets by defect engineering and atom substitution

2019 ◽  
Vol 21 (37) ◽  
pp. 21070-21083 ◽  
Author(s):  
Asadollah Bafekry ◽  
Saber Farjami Shayesteh ◽  
Francois M. Peeters
Keyword(s):  
Magnetic Properties ◽  
Electronic Properties ◽  
First Principles ◽  
Topological Defects ◽  
First Principles Calculations ◽  
Defect Engineering ◽  
Electronic And Magnetic Properties

Using first-principles calculations the effects of topological defects, vacancies, Stone–Wales and anti-site and substitution of atoms, on the structure and electronic properties of monolayer C3N are investigated.

scholarly journals Theoretical Investigation on Single-Wall Carbon Nanotubes Doped with Nitrogen, Pyridine-Like Nitrogen Defects, and Transition Metal Atoms

2012 ◽  
Vol 2012 ◽  
pp. 1-14 ◽  
Author(s):  
Michael Mananghaya ◽  
Emmanuel Rodulfo ◽  
Gil Nonato Santos ◽  
Al Rey Villagracia ◽  
Alvin Noe Ladines
Keyword(s):  
Carbon Nanotubes ◽  
Electronic Properties ◽  
Density Functional ◽  
Strong Dependence ◽  
Topological Defects ◽  
Binding Energies ◽  
Single Wall Carbon Nanotubes ◽  
Functional Theory ◽  
Transition Metal Atoms ◽  
Walled Carbon Nanotubes

This study addresses the inherent difficulty in synthesizing single-walled carbon nanotubes (SWCNTs) with uniform chirality and well-defined electronic properties through the introduction of dopants, topological defects, and intercalation of metals. Depending on the desired application, one can modify the electronic and magnetic properties of SWCNTs through an appropriate introduction of imperfections. This scheme broadens the application areas of SWCNTs. Under this motivation, we present our ongoing investigations of the following models: (i) (10, 0) and (5, 5) SWCNT doped with nitrogen (CNxNT), (ii) (10, 0) and (5, 5) SWCNT with pyridine-like defects (3NV-CNxNT), (iii) (10, 0) SWCNT with porphyrine-like defects (4ND-CNxNT). Models (ii) and (iii) were chemically functionalized with 14 transition metals (TMs): Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Pd, Ag, Pt and Au. Using the spin-unrestricted density functional theory (DFT), stable configurations, deformations, formation and binding energies, the effects of the doping concentration of nitrogen, pyridine-like and porphyrine-like defects on the electronic properties were all examined. Results reveal that the electronic properties of SWCNTs show strong dependence on the concentration and configuration of nitrogen impurities, its defects, and the TMs adsorbed.

scholarly journals Atomistic Modelling of Size-Dependent Mechanical Properties and Fracture of Pristine and Defective Cove-Edged Graphene Nanoribbons

Nanomaterials ◽  
2020 ◽  
Vol 10 (7) ◽  
pp. 1422
Author(s):  
Daniela A. Damasceno ◽  
R.K.N.D. Nimal Rajapakse ◽  
Euclides Mesquita
Keyword(s):  
Mechanical Properties ◽  
Electronic Properties ◽  
Mechanical Behaviour ◽  
Mechanical Response ◽  
Graphene Nanoribbons ◽  
Topological Defects ◽  
Device Fabrication ◽  
Pristine Graphene ◽  
Size Dependent ◽  
Complex Dependency

Cove-edged graphene nanoribbons (CGNR) are a class of nanoribbons with asymmetric edges composed of alternating hexagons and have remarkable electronic properties. Although CGNRs have attractive size-dependent electronic properties their mechanical properties have not been well understood. In practical applications, the mechanical properties such as tensile strength, ductility and fracture toughness play an important role, especially during device fabrication and operation. This work aims to fill a gap in the understanding of the mechanical behaviour of CGNRs by studying the edge and size effects on the mechanical response by using molecular dynamic simulations. Pristine graphene structures are rarely found in applications. Therefore, this study also examines the effects of topological defects on the mechanical behaviour of CGNR. Ductility and fracture patterns of CGNR with divacancy and topological defects are studied. The results reveal that the CGNR become stronger and slightly more ductile as the width increases in contrast to normal zigzag GNR. Furthermore, the mechanical response of defective CGNRs show complex dependency on the defect configuration and distribution, while the direction of the fracture propagation has a complex dependency on the defect configuration and position. The results also confirm the possibility of topological design of graphene to tailor properties through the manipulation of defect types, orientation, and density and defect networks.

Structural properties of GaAs/InGaAs/GaAs (001) and InGaAs/GaAs (001) heterostructures and correlation with electronic properties

1990 ◽  
Vol 48 (4) ◽  
pp. 602-603
Author(s):  
J.M. Bonar ◽  
R. Hull ◽  
R. Malik ◽  
R. Ryan ◽  
J.F. Walker
Keyword(s):  
Band Gap ◽  
Electronic Properties ◽  
Gaas Substrate ◽  
Critical Thickness ◽  
Lattice Mismatch ◽  
Band Offset ◽  
Misfit Dislocations ◽  
Gaas Substrates ◽  
Gaas Structure ◽  
Low X

In this study we have examined a series of strained heteropeitaxial GaAs/InGaAs/GaAs and InGaAs/GaAs structures, both on (001) GaAs substrates. These heterostructures are potentially very interesting from a device standpoint because of improved band gap properties (InAs has a much smaller band gap than GaAs so there is a large band offset at the InGaAs/GaAs interface), and because of the much higher mobility of InAs. However, there is a 7.2% lattice mismatch between InAs and GaAs, so an InxGa1-xAs layer in a GaAs structure with even relatively low x will have a large amount of strain, and misfit dislocations are expected to form above some critical thickness. We attempt here to correlate the effect of misfit dislocations on the electronic properties of this material.The samples we examined consisted of 200Å InxGa1-xAs layered in a hetero-junction bipolar transistor (HBT) structure (InxGa1-xAs on top of a (001) GaAs buffer, followed by more GaAs, then a layer of AlGaAs and a GaAs cap), and a series consisting of a 200Å layer of InxGa1-xAs on a (001) GaAs substrate.

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