Related papers: A linear combination of atomic orbitals (LCAO) mod…
We compute the electronic structure of acceptor clusters in silicon by using three methods to include electron correlations: the full configuration interaction, the Heitler-London approximation, and the unrestricted Hartree-Fock method. We…
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…
The possibility of realizing topological insulators by spontaneous formation of electronic superstructure is theoretically investigated in a minimal two-orbital model including both the spin-orbit coupling and electron correlations on a…
The linear combination of atomic orbitals (LCAO) is a standard method for studying solids and molecules, it is also known as the tight$-$binding (TB) method. In most of the implementations only the basis set and the coupling constants are…
Amorphous insulating oxides play a significant role in the contemporary electronic industry. Understanding the band alignment of heterogeneous interfaces containing amorphous structures helps to better control the carrier transport property…
Topological materials exhibit protected edge modes that have been proposed for applications in for example spintronics and quantum computation. While a number of such systems exist, it would be desirable to be able to test theoretical…
A detailed Linear Combination of Atomic Orbitals (LCAO) tight-binding model is developed for the layered High-Temperature Superconductor cuprates. The band structure of these materials is described using a sigma-band Hamiltonian employing…
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 show that bosonic atoms loaded into orbital angular momentum $l=1$ states of a lattice in a diamond-chain geometry provides a flexible and simple platform for exploring a range of topological effects. This system exhibits robust edge…
Topological crystalline insulators (TCIs) are classified by topological invariants defined with respect to the crystalline symmetries of their gapped bulk. The bulk-boundary correspondence then links the topological properties of the bulk…
Acceptor dopant atoms in silicon have recently been identified as compelling candidates for spin-based quantum technologies. Interest in acceptor qubits ultimately derives from the properties of acceptor bound holes, where spin-orbit…
Atomic-scale helices exist as motifs for several material lattices. We examine a tight-binding model for a single one-dimensional monatomic chain with a p-orbital basis coiled into a helix. A topologically nontrivial phase emerging from…
We propose a realization of a two-dimensional higher-order topological insulator with ultracold atoms loaded into orbital angular momentum (OAM) states of an optical lattice. The symmetries of the OAM states induce relative phases in the…
One of the hallmarks of topological insulators is the correspondence between the value of its bulk topological invariant and the number of topologically protected edge modes observed in a finite-sized sample. This bulk-boundary…
We study the topological optical states in one-dimensional (1D) dimerized ultracold atomic chains, as an extension of the Su-Schrieffer-Heeger (SSH) model. By taking the fully retarded near-field and far-field dipole-dipole interactions…
Topological electronic phases exist in a variety of naturally occurring materials but can also be created artificially. We used a cryogenic scanning tunneling microscope to create dimerized chains of identical quantum dots on a…
We analyze the electronic structure of group II-VI semiconductors obtained within LMTO approach in order to arrive at a realistic and minimal tight binding model, parameterized to provide an accurate description of both valence and…
Topological quantum optical states in one-dimensional (1D) quasiperiodic cold atomic chains are studied in this work. We propose that by introducing incommensurate modulations on the interatomic distances of 1D periodic atomic chains, the…
Topological matter offers opportunities for control of charge and energy flow with implications for chemistry still incompletely understood. In this work, we study an ensemble of adsorbates with an empty frontier level (LUMO) coupled to the…
Lattices with a basis can host crystallographic defects which share the same topological charge (e.g.~the Burgers vector $\vec b$ of a dislocation) but differ in their microscopic structure of the core. We demonstrate that in insulators…