Related papers: Tight-binding parameterization for photonic band g…
In this work we present a tight-binding model that allows to describe with a minimal amount of parameters the band structure of exciton-polariton lattices. This model based on $s$ and $p$ non-orthogonal photonic orbitals faithfully…
A procedure to obtain single-electron wavefunctions within the tight-binding formalism is proposed. It is based on linear combinations of Slater-type orbitals whose screening coefficients are extracted from the optical matrix elements of…
Parameterized tight-binding models fit to first principles calculations can provide an efficient and accurate quantum mechanical method for predicting properties of molecules and solids. However, well-tested parameter sets are generally…
The goal of this paper is to relate the capacitance matrix formalism to the tight-binding approximation. By doing so, we open the way to the use of mathematical techniques and tools from condensed matter theory in the mathematical and…
A detailed tight-binding analysis of the electron band structure of the CuO_2 plane of layered cuprates is performed within a sigma-band Hamiltonian including four orbitals - Cu3d_x^2-y^2, Cu4s, O2p_x, and O2p_y. Both the experimental and…
In this letter we introduce a novel approach to Hamiltonian tomography of non-interacting tight-binding photonic lattices. To begin with, we prove that the matrix element of the low-energy effective Hamiltonian between sites $i$ and $j$ may…
We examine the origin of the formation of narrow bands in LK-99 (Pb$_{9}$Cu(PO$_4$)$_6$O) and the parent compound without the Cu doping using density functional theory calculations and model Hamiltonian studies. Explicit analytical…
Tight-binding models can accurately replicate the band structure and topology of crystalline systems. They have been widely used in solid-state physics due to their versatility and low computational cost. It is straightforward to build an…
We present a new model to realize artificial 2D lattices with cold atoms investigating the atomic artificial graphene: a 2D-confined matter wave is scattered by atoms of a second species trapped around the nodes of a honeycomb optical…
Being dispersionless, flat bands on periodic lattices are solely characterized by their macroscopically degenerate eigenstates: compact localized states (CLSs) in real space and Bloch states in reciprocal space. Based on this property, this…
In the band theory, first-principles calculations, the tight-binding method and the effective $k\cdot p$ model are usually employed to investigate the electronic structure of condensed matters. The effective $k\cdot p$ model has a compact…
Obtaining accurate band structures of correlated solids has been one of the most important and challenging problems in first-principles electronic structure calculation. There have been promising recent active developments of wave function…
The phenomenon of photonic band gaps in one-dimensional optical lattices is reviewed using a microscopic approach. Formally equivalent to the transfer matrix approach in the thermodynamic limit, a microscopic model is required to study…
We present a general scheme to realize a cold-atom quantum simulator of bidimensional atomic crystals. Our model is based on the use of two independently trapped atomic species: the first one, subject to a strong in-plane confinement,…
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…
Routine investigations of plasmonic phenomena at the quantum level present a formidable computational challenge due to the large system sizes and ultrafast timescales involved. This Feature Article highlights the use of density functional…
It is shown that, an entire class of off-diagonally disordered linear lattices composed of two basic building blocks and described within a tight binding model can be tailored to generate absolutely continuous energy bands. It can be…
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…
We propose an accurate tight-binding parametrization for the band structure of MoS$_2$ monolayers near the main energy gap. We introduce a generic and straightforward derivation for the band energies equations that could be employed for…
Employing tight-binding approximation we derive a transfer matrix formalism for one-dimensional single photon transport through a composite scattering center, which consists of parallel connected resonator optical waveguides. By solving the…