Related papers: Electrically Tunable Quasi-Flat Bands, Conductance…
Flat bands form in a 3D Hopf-linked graphene crystal or a 3D carbon allotrope named Hopfene, which qualitatively differ from bands of only graphenes. This paper discusses carbon-hexagon deformation on the level shift of a flat band via…
Using first-principles calculations, we examine the electronic structure of quasi-one-dimensional fullerene nanoribbons derived from two-dimensional fullerene networks. Depending on the edge geometry and width, these nanoribbons exhibit a…
We investigate the optical properties of edge-functionalized graphene nanosystems, focusing on the formation of junctions and charge transfer excitons. We consider a class of graphene structures which combine the main electronic features of…
In graphene nanoribbon junctions, the nearly perfect transmission occurs in some junctions while the zero conductance dips due to anti-resonance appear in others. We have classified the appearance of zero conductance dips for all…
We employ first-principles calculations based density-functional-theory (DFT) approach to study electronic properties of partially and fully edge-hydrogenated armchair boron-nitrogen-carbon (BNC) nanoribbons (ABNCNRs), with widths between…
Grain boundaries are commonly observed in carbon nanostructures, but their influence on thermal and electric properties are still not completely understood. Using a combined approach of density functional tight-binding theory and…
By taking account of the electric-field-induced charge screening, a self-consistent calculation within the framework of the tight-binding approach is employed to obtain the electronic band structure of gated multilayer phosphorene and the…
Superconductivity is traditionally viewed as a low-temperature phenomenon. Within the BCS theory this is understood to result from the fact that the pairing of electrons takes place only close to the usually two-dimensional Fermi surface…
Topological flat bands have gained extensive interest as a platform for exploring the interplay between nontrivial band topology and correlation effects. In recent studies, strongly correlated phenomena originating from a topological flat…
Armchair biphenylene nanoribbons are investigated by using density functional theory. The nanoribbon that contains one biphenylene subunit in a unit cell is a semiconductor with a direct band gap larger than 1 eV, while that containing four…
We propose an analytical device model for a graphene nanoribbon field-effect transistor (GNR-FET). The GNR-FET under consideration is based on a heterostructure which consists of an array of nanoribbons clad between the highly conducting…
We investigate the effects of homogeneous and inhomogeneous deformations and edge disorder on the conductance of gated graphene nanoribbons. Under increasing homogeneous strain the conductance of such devices initially decreases before it…
Systematic engineering of atomic-scale low-dimensional defects in two-dimensional nanomaterials is a promising way to modulate the electronic properties of these nanomaterials. Defects at interfaces such as grain boundaries and line defects…
Resonances in the superconducting properties, in a regime of crossover from BCS to mixed Bose-Fermi superconductivity, are investigated in a two-band superconductor where the chemical potential is tuned near the band edge of the second…
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…
In this work, we present a systematic first-principles density-functional theory based study of geometry, electronic structure, and optical properties of armchair phosphorene nanoribbons (APNRs), with the aim of understanding the influence…
In our previous study, we have predicted the novel two-dimensional honeycomb monolayers of pnictogen. In particular, the structure and properties of the honeycomb monolayer of nitrogen, which we call nitrogene, are very unusual. In this…
In this Letter, we investigate the strain-induced band-gap modulation of both armchair and zigzag graphane nanoribbons based on the first-principles calculations. Within the elastic range, the band gap changes linearly with the uniaxial…
Graphene nanoribbons (GNRs) possess distinct symmetry-protected topological phases. We show, through first-principles calculations, that by applying an experimentally accessible transverse electric field (TEF), certain boron and nitrogen…
Twisted graphene bilayers provide a versatile platform to engineer metamaterials with novel emergent properties by exploiting the resulting geometric moir\'{e} superlattice. Such superlattices are known to host bulk valley currents at tiny…