Related papers: Tight-binding approach to penta-graphene
We analyze the effect of tensional strain in the electronic structure of graphene. In the absence of electron-electron interactions, within linear elasticity theory, and a tight-binding approach, we observe that strain can generate a bulk…
Using infrared spectroscopy, we investigate bottom gated ABA-stacked trilayer graphene subject to an additional environment-induced p-type doping. We find that the Slonczewski-Weiss-McClure tight-binding model and the Kubo formula reproduce…
We compare the classification of the electron bands in graphene, obtained by group theory algebra in the framework of tight-binding model (TBM), with that calculated in the density-functional theory (DFT) framework. Identification in the…
We present a model of a mechanical system with a vibrational mode spectrum identical to the spectrum of electronic excitations in a tight-binding model of graphene. The model consists of point masses connected by elastic couplings, called…
We review the electronic properties of bilayer graphene, beginning with a description of the tight-binding model of bilayer graphene and the derivation of the effective Hamiltonian describing massive chiral quasiparticles in two parabolic…
We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the…
We propose a two-orbital Hubbard model on an emergent honeycomb lattice to describe the low-energy physics of twisted bilayer graphene. Our model provides a theoretical basis for studying metal-insulator transition, Landau level degeneracy…
We introduce a refined tight-binding (TB) model for Pt-based jacutingaite materials Pt$_{2}N$X$_{3}$, ($N$ = Zn, Cd, Hg; X = S, Se, Te), offering a detailed representation of the low-energy physics of its monolayers. This model incorporates…
In this article we derive the lattice Green Functions (GFs) of graphene using a Tight Binding Hamiltonian incorporating both first and second nearest neighbour hoppings and allowing for a non-orthogonal electron wavefunction overlap. It is…
We study the importance of interband effects on the orbital susceptibility of three bands $\alpha$-${\cal T}_3$ tight-binding models. The particularity of these models is that the coupling between the three energy bands (which is encoded in…
We propose a new class of tight-binding models where a flat band is either gapped from or crossing right through a dispersive band on two-band (i.e., two sites/unit cell) tetragonal and honeycomb lattices. By imposing a condition on the…
We study the role of hopping matrix elements of the position operator $\mathbf{\hat{r}}$ in tight-binding calculations of linear and nonlinear optical properties of solids. Our analysis relies on a Wannier-interpolation scheme based on…
We use the robust nearest-neighbour tight-binding approximation to study on the same footing interband dipole transitions in narrow-bandgap carbon nanotubes and graphene nanoribbons. It is demonstrated that curvature effects in metallic…
Harrison's tight-binding theory provides an excellent qualitative description of the electronic structure of the elements across the periodic table. However, the resulting band structures are in significant disagreement with those found by…
A major hurdle in understanding the phase diagram of twisted bilayer graphene (TBLG) are the roles of lattice relaxation and electronic structure on isolated band flattening near magic twist angles. In this work, the authors develop an…
We study the effect of Coulomb interaction between charge carriers on the properties of graphene monolayer, assuming that the strength of the interaction is controlled by the dielectric permittivity of the substrate on which the graphene…
We have developed the tight-binding theory to study electronic and optical properties of type-II heterostructures CA/C'A' grown from the zinc-blende semiconductors CA and C'A' along the crystallographic direction [001]. The sp^3s*…
We perform a detailed analysis of electronic polarizability of graphene with different theoretical approaches. From Kubo's linear response formalism, we give a general expression of frequency and wave-vector dependent polarizability within…
The electronic structure, when restricted to the d-band approximation, is a computational model that is both efficient and useful for describing transition metals. In the absence of considering delocalized sp-states, this approximation…
Growth of graphene on monolayer transition-metal dichalcogenides presents opening on band gap and giant spin-orbit coupling which paves the way to achieve a useful hybrid structure for electronics and spintronics applications. Increase of…