Related papers: Tight-binding approach to penta-graphene
Nonlinear optical absorption of light by materials are weak due to its perturbative nature, although a strong nonlinear response is of crucial importance to applications in optical limiting and switching. Here we demonstrate experimentally…
We consider the interaction of gapped graphene in the two-band approximation using an explicit time-dependent approach. In addition to the full high-order harmonic generation (HHG) spectrum, we also obtain the perturbative harmonic response…
Optical properties of graphene are explored by using the generalized tight-binding model. The main features of spectral structures, the form, frequency, number and intensity, are greatly enriched by the complex relationship among the…
Magic angle twisted bilayer graphene (MATBG) hosts narrow moir\'e bands with meV-scale energy splittings, making its correlated phases sensitive to both material parameters and modeling choices in low-energy downfolding. We develop an ab…
Based on a tight-binding approximation, we present analytical solutions for the wavefunction and propagation velocity of an electron in armchair graphene ribbons. The derived expressions are used for computing the transmission coefficients…
Using systematic evolutionary structure searching we propose a new carbon allotrope, phagraphene, standing for penta-hexa-hepta-graphene, because the structure is composed of 5-6-7 carbon rings. This two-dimensional (2D) carbon structure is…
We revisit the theory of the pseudo magnetic field as induced by strain in graphene using the tight-binding approach. A systematic expansion of the hopping parameter and the deformation of the lattice vectors is presented from which we…
Motivated by recent experiments of successfully carving out stable carbon atomic chains from graphene, we investigate a device structure of a carbon chain connecting two zigzag graphene nanoribbons with highly tunable spin-dependent…
A continuum model for the effective spin orbit interaction in graphene is derived from a tight-binding model which includes the $\pi$ and $\sigma$ bands. We analyze the combined effects of the intra-atomic spin-orbit coupling, curvature,…
Hot-filament process was recently employed to convert, totally or partially, few-layer graphene (FLG) with Bernal stacking into crystalline sp$^3$-C sheets at low pressure. Those materials constitute new synthetic carbon nanoforms. The…
We perform a first principles band calculation for a group of quasi-two-dimensional organic conductors \beta-(BDA-TTP)2MF6 (M=P, As, Sb, Ta). The ab-initio calculation shows that the density of states (DOS) is correlated with the band width…
We investigate the spatial coarse-graining of interactions in host-guest systems within the framework of the recently proposed Interacting Pair Approximation (IPA). Basically, the IPA method derives local effective interactions from the…
The effective interaction of downfolded low-energy models for electrons in solids can be obtained by integrating out the high energy bands away from the target band near the Fermi level. Here, we apply the constrained random-phase…
The ideas of the linear combination of atomic orbitals (LCAO) method, well known from the study of electrons, is extended to the classical wave case. The Mie resonances of the isolated scatterer in the classical wave case, are analogous to…
We study the hole binding energy and pairing correlations in the three-band Hubbard model coupled to an apical oxygen phonon, by exact diagonalization and constrained-path Monte Carlo simulations. In the physically relevant charge-transfer…
Recent theory has demonstrated that the value of the electron-phonon coupling strength $\lambda$ can be extracted directly from the thermal attenuation (Debye-Waller factor) of Helium atom scattering reflectivity. This theory is here…
We have recently shown that by using a scaling approach for randomly distributed topological defects in graphene, reliable estimates for transmission properties of macroscopic samples can be calculated based even on single-defect…
Graphene, renowned for its exceptional electronic and optical properties as a robust 2D material, traditionally lacks electronic correlation effects. Proximity coupling offers a promising method to endow quantum materials with novel…
We study the crossover from the one-dimensional to the two-dimensional Hubbard model in the photoemission spectra of weakly coupled chains. The chains with on-site repulsion are treated using the spin-charge factorized wave function, that…
We consider the relationship between the tight-binding Hamiltonian of the two-dimensional honeycomb lattice of carbon atoms with nearest neighbor hopping only and the 2+1 dimensional Hamiltonian of quantum electrodynamics which follows in…