Tight-binding approach to uniaxial strain in graphene

Tight-binding approach to penta-graphene.

We introduce an effective tight-binding model to discuss penta-graphene and present an analytical solution. This model only involves the π-orbitals of the sp(2)-hybridized carbon atoms and reproduces the two highest valence bands. By introducing energy-dependent hopping elements, originating from the elimination of the sp(3)-hybridized carbon atoms, also the two lowest conduction bands can be w...

Effect of Curvature on the Mechanical Properties of Graphene: A Density Functional Tight-binding Approach

Due to the high cost of experimental analyses, researchers used atomistic modeling methods for predicting the mechanical behavior of the materials in the fields of nanotechnology. In the pre-sent study the Self-Consistent Charge Density Functional Tight-Binding (SCC-DFTB) was used to calculate Young's moduli and average potential energy of the straight and curved graphenes with different curvat...

Tight-binding description of graphene

We investigate the tight-binding approximation for the dispersion of the p and p* electronic bands in graphene and carbon nanotubes. The nearest-neighbor tight-binding approximation with a fixed g0 applies only to a very limited range of wave vectors. We derive an analytic expression for the tight-binding dispersion including up to third-nearest neighbors. Interaction with more distant neighbor...

Tight-binding couplings in microwave artificial graphene

The effect of uniaxial strain on graphene nanoribbon carrier statistic

: Armchair graphene nanoribbon (AGNR) for n=3m and n=3m+1 family carrier statistic under uniaxial strain is studied by means of an analytical model based on tight binding approximation. The uniaxial strain of AGNR carrier statistic models includes the density of state, carrier concentration, and carrier velocity. From the simulation, it is found that AGNR carrier concentration has not been infl...