Related papers: Computational Determination of the Electronic Stru…
This article reviews the basic theoretical aspects of graphene, a one atom thick allotrope of carbon, with unusual two-dimensional Dirac-like electronic excitations. The Dirac electrons can be controlled by application of external electric…
In this work we will focus on the effects produced by topological disorder on the electronic properties of a graphene plane. The presence of this type of disorder induces curvature in the samples of this material, making quite difficult the…
We study the electronic and magnetic properties of multilayer quantum dots (MQDs) of graphite in the nearest-neighbor approximation of tight-binding model. We calculate the electronic density of states and orbital susceptibility of the…
Understanding radiation-induced defect formation in carbon materials is crucial for nuclear technology and for the manufacturing of nanostructures with desired properties. Using first principles molecular dynamics, we perform a systematic…
The correlation of odd electrons in graphene turns out to be significant so that the species should be attributed to correlated ones. This finding profoundly influences the computational strategy addressing it to multireference…
We investigate the local electron temperature distribution in carbon nano-ribbon (CNR) and graphene junctions subject to an applied thermal gradient. Using a realistic model of a scanning thermal microscope, we predict quantum temperature…
Structural distortions in nano-materials can induce dramatic changes in their electronic properties. This situation is well manifested in graphene, a two-dimensional honeycomb structure of carbon atoms with only one atomic layer thickness.…
Graphene, the one-atom-thick sp2 hybridized carbon crystal, displays unique electronic, structural and mechanical properties, which promise a large number of interesting applications in diverse high tech fields. Many of these applications…
Chemical, mechanical, thermal and/or electronic properties of bulk or low-dimensional materials can be engineered by introducing structural defects to form novel functionalities. When using particles irradiation, these defects can be…
We systematically investigate the relationships between structural and electronic effects of finite size zigzag or armchair carbon nanotubes of various diameters and lengths, starting from a molecular template of varying shape and diameter,…
A review work is done for electronic and optical properties of graphene nanoribbons in magnetic, electric, composite, and modulated fields. Effects due to the lateral confinement, curvature, stacking, non-uniform subsystems and hybrid…
In general, there are two major factors affecting bandgaps in nanostructures: (i) the enhanced electron-electron interactions due to confinement and (ii) the modified self-energy of electrons due to the dielectric screening. While recent…
The paper aims to reveal the relationship between the geometrical features and linear and nonlinear optical properties of InAs quantum dots (QDs). This problem is justified by the extreme variety offered by the recent advances in growth…
We propose that recent transport experiments revealing the existence of an energy gap in graphene nanoribbons may be understood in terms of Coulomb blockade. Electron interactions play a decisive role at the quantum dots which form due to…
Modern nanotechnology allows producing, depending on application, various quantum nanostructures with the desired properties. These properties are strongly influenced by the confinement potential which can be modified, e.g., by electrical…
We have systematically investigated the effect of oxidation on the structural and electronic properties of graphene based on first-principles calculations. Energetically favorable atomic configurations and building blocks are identified,…
Using density functional theory calculations, we have examined the structural stability, electronic, magnetic and optical properties of rectangular shaped quantum dots (QDs) of graphene (G), Boron Nitride (BN) and their hybrids. Different…
With recent advances in strain-engineering technology of graphene and 2D materials, graphene quantum dots (QDs) defined by the strain-induced pseudo-magnetic fields (PMFs) have been of interest, with the feasibility of tunable graphene…
A theory is presented to show how near-field optical microscopy can be used to probe quantum nanostructures. Calculations are done for a quantum dot. Results for different tip/dot configurations and sizes show that near-field excitation can…
The last two decades, in particular, have witnessed a large volume of research revolving around structure-property correlation in Carbon based nanocomposites, synthesized by several methods.In the simplest of terms, the electronic…