Related papers: Tight-binding parameterization for photonic band g…

Topological photonics provides a robust and flexible platform for controlling light, enabling functionalities such as backscattering-immune edge transport and slow-light propagation. In this work, we design and characterize photonic…

First-principles calculations were performed to investigate the electronic structure of two-dimensional (2-D) Ge, Sn, and Pb without and with the presence of an external electric field in combination with spin-orbit coupling. Tight-binding…

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…

We present two methods for constructing a flat band (FB) system having a flat energy dispersion over the entire Brillouin zone within tight-binding model, where the resulting Hamiltonian may not be easily obtained by existing methods based…

Elastic waves scattering off a periodic single and double array of thin cylindrical defects is considered for isotropic materials. An analytical expression for the scattering matrix is obtained by means of the Lippmann-Schwinger formalism…

Motivated by the recent experimental determination of the three-dimensional Fermi surface of overdoped La-based cuprate superconductors [Horio et al., Phys. Rev. Lett. 2018, 121, 077004], we revisit the tight-binding parameterization of…

Scattering of electronic waves in square and triangular lattice half-planes by a step on the surface is analyzed using the nearest-neighbour tight binding approximation. The changes in lattice spacing and the transfer integral between…

The electronic properties of quasi-one-dimensional anatase TiO2 nanostructures, in the form of thin nanowires having (101) and (001) facets, have been systematically investigated using the standard, hybrid density functional and…

We discuss how to construct tight-binding models for ultra cold atoms in honeycomb potentials, by means of the maximally localized Wannier functions (MLWFs) for composite bands introduced by Marzari and Vanderbilt [1]. In particular, we…

Simulation of mesoscopic nanostructures is a central challenge in condensed matter physics and device applications. First-principles methods provide accurate electronic structures but are computationally prohibitive for large systems, while…

We develop a computational workflow for high-throughput Wannierization of density functional theory (DFT) based electronic band structure calculations. We apply this workflow to 1771 materials, and we create a database with the resulting…

We study interacting bosons in a two dimensional bipartite optical lattice. By focusing on the regime where the first three excited bands are nearly degenerate we derive a three orbital tight-binding model which captures the most relevant…

We propose a simple and effective approach to construct the empirical tight-binding parameters of ternary alloys in the virtual crystal approximation. This combines a new, compact formulation of the strain parameters and a linear…

Former results for a Tight-Binding (TB) model of CuO planes in La2CuO4 are reinterpreted here to underline their wider implications. It is noted that physical systems being appropriately described by the TB model can exhibit the main…

Optical binding interactions between laser-trapped spherical microparticles are familiar in a wide range of trapping configurations. Recently it has been demonstrated that these experiments can be accurately modeled using Mie scattering or…

We report on optical properties of various polymorphs of hafnia predicted within the framework of density functional theory. The full potential linearised augmented plane wave method was employed together with the Tran-Blaha modified…

We propose a real-space approach explaining and controlling the occurrence of edge-localized gap states between the spectral quasibands of binary tight binding chains with deterministic aperiodic long-range order. The framework is applied…

The envelope function method traditionally employs a single basis set which, in practice, relates to a single material because the $k\cdot p$ matrix elements are generally only known in a particular basis. In this work, we defined a basis…

Inspired by the growing interest in probing many-body phases in novel two-dimensional lattice geometries we investigate the properties of cold atoms as they could be observed in an optical Lieb lattice. We begin by computing Wannier…

We propose a highly efficient and accurate numerical scheme named Truncated Atomic Plane Wave (TAPW) method to determine the subband structure of Twisted Bilayer Graphene (TBG) inspired by BM model. Our method utilizes real space…