Related papers: Electronic properties of disclinated nanostructure…
Electronic transport properties of monolayer graphene with extreme physical bending up to 90o angle are studied using ab Initio first-principle calculations. The importance of key structural parameters including step height, curvature…
We present a theoretical study of the electronic structure of modulated graphene in the presence of a perpendicular magnetic field. The density of states and the bandwidth for the Dirac electrons in this system are determined. The…
The ability in experiments to control the relative twist angle between successive layers in two-dimensional (2D) materials offers a new approach to manipulating their electronic properties; we refer to this approach as "twistronics". A…
The low-energy electronic structure of icosahedral fullerenes is studied within the field-theory model. In the field model, the pentagonal rings in the fullerene are simulated by two kinds of gauge fields. The first one, non-abelian field,…
The behavior of electrons in strained graphene is usually described using effective pseudomagnetic fields in a Dirac equation. Here we consider the particular case of a spatially constant strain. Our results indicate that lattice…
We investigate the effects of a perpendicular electric field applied to multilayer phosphorene nanoribbons with zigzag and armchair edges. Within the context of the tight-binding model, we explore the electronic properties of these systems…
Diverse magnetic and electronic properties of halogen-adsorbed silicene are investigated by the first-principles theoretical framework, including the adatom-diversified geometric structures, the atom-dominated energy bands, the spatial spin…
Systematic tight-binding investigations of the electronic spectra (as a function of the magnetic field) are presented for trigonal graphene nanoflakes with reconstructed zigzag edges, where a succession of pentagons and heptagons, that is…
We address the problem of an unscreened Coulomb charge in graphene, and calculate the local density of states and displaced charge as a function of energy and distance from the impurity. This is done non-perturbatively in two different…
A structural model of hydrogenated amorphous silicon containing an isolated dangling bond is used to investigate the effects of electron interactions on the electronic level splittings, localization of charge and spin, and fluctuations in…
We theoretically investigate the thermoelectric properties of zigzag graphene nanoribbons in the presence of extended line defects, substrate impurities and edge roughness along the nanoribbon's length. A nearest-neighbor tight-binding…
Graphite is an example of a layered material that can be bent to form fullerenes which promise important applications in electronic nanodevices. The spheroidal geometry of a slightly elliptically deformed sphere was used as a possible…
In this paper we study the properties of an electron trapped on a torus surface. We consider the influence of surface curvature on the spectrum and the behaviour of the wave function. In addition, the effects of external electric and…
Stability and electronic properties of atomic layers of GaN are investigated in the framework of the van der Waals-density functional theory. We find that the ground state of the layered GaN is a planar graphene-like configuration rather…
The recent experimental observations of designer Dirac Fermions and topological phases in molecular graphene are addressed theoretically. Using scattering theory we calculate the electronic structure of finite lattices of scattering centers…
The ability to artificially grow in a controllable manner at nanoscale, from modern deposition techniques, complex structural configurations made with metallic, polar and semiconductors materials raises today the issue of the "best"…
Quantum confinement endows two-dimensional (2D) layered materials with exceptional physics and novel properties compared to their bulk counterparts. Although certain two- and few-layer configurations of graphene have been realized and…
Understanding the effect of electric fields on the physical and chemical properties of two-dimensional (2D) nanostructures is instrumental in the design of novel electronic and optoelectronic devices. Several of those properties are…
This work presents a systematic review of the feature-rich essential properties in graphene-related systems using the first-principles method. The geometric and electronic properties are greatly diversified by the number of layers, the…
We introduce the idea that the electronic band structure of a charge density wave system may mimic the electronic structure of graphene. In that case a class of materials quite different from graphene might be opened up to exploit…