Related papers: Orientation and strain modulated electronic struct…
We present an analytic study, based on the tight-binding approximation, of strain effects on the electronic bandgap in single-layer black phosphorus. We obtain an expression for the variation of the bandgap induced by a general strain type…
We combine density-functional theory and the nonequilibrium Green's function method to study the thermal conductance of graphene nanoribbons with armchair and zigzag edges. Zigzag ribbons have higher thermal conductance than armchair…
The electronic properties of graphene are influenced by both geometric confinement and strain. We study the electronic structure of in-plane bent graphene nanoribbons, systems where confinement and strain are combined. To understand its…
We report, based on its variation in electronic transport to coupled tension and shear deformation, a highly sensitive graphene-based strain sensor consisting of an armchair graphene nanoribbon (AGNR) between metallic contacts. As the…
Today graphene nanoribbons and other graphene-based nanostructures can be synthesized with atomic precision. But while investigations have concentrated on straight graphene ribbons of fixed crystal orientation, ribbons with intrinsic…
Graphene nanoribbons (GNRs) are promising two-dimensional materials with various technological applications, in particular for the armchair GNR families that have a semiconductor character. Recently, methods that allowed for the control of…
In this work we address the effects on the conductance of graphene nanoribbons (GNRs) at which organic molecules are side-attached on the ribbon ends. For simplicity, only armchair (AGNRs) and zigzag (ZGNRs) nanoribbons are considered and…
The characteristics of energy band spectrum of armchair graphene nanoribbons in presence of line defect are analyzed within a simple non-interacting tight-binding framework. In metallic nanoribbons an energy gap may or may not appear in the…
The search for half-metals and spin-gapless semiconductors has attracted extensive attention in material design for spintronics. Existing progress in such a search often requires peculiar atomistic lattice configuration and also lacks…
We predict the existence of new two dimensional silicon carbide nanostructure employing ab initio density-functional theory calculations. These structures are composed of tetragonal and hexagonal rings with C-C and Si-C bonds arranged in a…
Carbon-based nanostructures and graphene, in particular, evoke a lot of interest as new promising materials for nanoelectronics and spintronics. One of the most important issue in this context is the impact of external electrodes on…
Geometric and electronic properties of folded graphene nanoribbons (FGNRs) are investigated by first-principles calculations. These properties are mainly dominated by the competition or cooperation among stacking, curvature and edge…
The electronic and transport properties of hybrid armchair zigzag nanostructures including U-shaped graphene nanoribbons and patterned nanopores structured graphene were studied using combination of density functional theory and…
Due to low dimensionality, the controlled stacking of the graphene films and their electronic properties are susceptible to environmental changes including strain. The strain-induced modification of the electronic properties such as the…
Results of quantum mechanical simulations of the influence of edge disorder on transport in graphene nanoribbon metal oxide semiconductor field-effect transistors (MOSFETs) are reported. The addition of edge disorder significantly reduces…
Based on density functional simulations combined with the Landauer transport theory, the mechanical strain impacts on the chemical bonds of phosphorene and their effects on the electronic properties are studied. Moreover, the effect of the…
Dependency of energy bandgap (Eg) of bilayer armchair graphene nanoribbons (AGNRB) on their widths, interlayer distance (D) and edge doping concentration of boron/nitrogen is investigated using local density approximation and compare to the…
Hexagonal Boron Nitride substrates have been shown to dramatically improve the electric properties of graphene. Recently, it has been observed that when the two honeycomb crystals are close to perfect alignment, strong lattice distortions…
Using first-principles plane wave calculations we predict that electronic and magnetic properties of graphene nanoribbons can be affected by defect-induced itinerant states. The band gaps of armchair nanoribbons can be modified by hydrogen…
Two-dimensional polyaniline monolayer (C3N) has been recently synthesized as an indirect semiconductor with high electron mobility. In this research, with combination of density functional theory and Green function formalism, we investigate…