Related papers: Tight Binding Parametrization of Few-layer Black P…

Within the framework of the Charge Density Wave Quantum Critical Point (CDW-QCP) scenario for high-T_c superconductors (HTCS), we introduce a model for tight-binding electrons coupled to quasi-critical fluctuations. In the normal state our…

Constraining stellar models using asteroseismic and spectroscopic observations is a powerful method for precisely determining the fundamental properties of stars in different kinematic components of our galaxy. We use spectroscopy and…

We provide a methodology to understand materials with complex bonding patterns, and apply it to the example of heteroanionic and lone pair materials. We build a tight-binding model based on Wannier functions fitted on density functional…

Flat bands - single-particle energy bands - in tight-binding networks have attracted attention due to the presence of macroscopic degeneracies and their extreme sensitivity to perturbations. This makes them natural candidates for emerging…

We construct generalized Hofstadter models that possess "color-entangled" flat bands and study interacting many-body states in such bands. For a system with periodic boundary conditions and appropriate interactions, there exist gapped…

Due to the value of the isotope shift in sulfur hydrides, a phonon-mediated pairing scenario of superconductivity is generally accepted for these high-temperature superconductors which is consistent with the Bardeen-Cooper-Schrieffer (BCS)…

We generalize solid-state tight-binding techniques for the spectral analysis of large superconducting circuits. We find that tight-binding states can be better suited for approximating the low-energy excitations than charge-basis states, as…

Band structures are ubiquitous in condensed matter physics and their symmetries constrain possible degeneracies, topology and response functions across a broad range of different systems. Here we address the question: given a parent…

Stacking two-dimensional (2D) materials into multi-layers or heterostructures, known as van der Waals (vdW) epitaxy, is an essential degree of freedom for tuning their properties on demand. Few-layer black phosphorus (FLBP), a material with…

We investigate magnetism and band structure engineering in Moir\'e superlattice of blue phosphorus ($\beta$-P) and grey arsenene ($\beta$-As) bilayers, using \textit{ab initio} calculations. The electronic states near the valence and…

We present calculations of the free energy, and hence the melting properties, of a simple tight-binding model for transition metals in the region of d-band filling near the middle of a d-series, the parameters of the model being designed to…

We present optimized tight-binding models with atomic orbitals to improve \textit{ab initio} tight-binding models constructed by truncating full density functional theory (DFT) Hamiltonian based on localized orbitals. Retaining qualitative…

For a newly discovered iron-based high T_c superconducting parent material KFe2Se2, we present an effective three-dimensional five-orbital tight-binding model by fitting the band structures. The three t2g-symmetry orbitals of the five Fe 3d…

The main aim of this paper is to provide cosmological constraints on the Multi Scalar Field Dark Matter model (MSFDM), in which we assume the dark matter is made up of different ultra-light scalar fields. As a first approximation, we…

We present a tight-binding (TB) model and $\mathbf{k\cdot p}$ theory for electrons in monolayer and few-layer InSe. The model is constructed from a basis of all $s$ and $p$ valence orbitals on both indium and selenium atoms, with…

Using the strong coupling diagram technique equations are derived for hole Green's functions of the three-band Hubbard model, which describes Cu-O planes of high-$T_c$ cuprates. The equations are self-consistently solved in the…

We consider a particular class of 1D aperiodic models with the aim to understand how their internal degrees of freedom contribute to their topological invariants and the possible relations (correspondences) among them. In order to handle…

We derive an effective quasiparticle tight-binding model which is able to describe with high accuracy the low-energy electronic structure of Sr2RuO4 obtained by means of low temperature angle resolved photoemission spectroscopy. Such…

Rapid design and development of the emergent ultra-wide bandgap semiconductors Ga$_2$O$_3$ and Al$_2$O$_3$ requires a compact model of their electronic structures, accurate over the broad energy range accessed in future high-field,…

We study the influence of spatial symmetries on the appearance and the number of exact flat bands (FBs) in single and bilayer systems with Dirac or quadratic band crossing points, and systematically classify all possible number of exact…